SCHEMBL3797295

SCHEMBL3797295

CCCCCC(CCC)Cc1c(C(=O)O)ccc(C(=O)O)c1CC(CCC)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PPARG P37231 1/20 0.38
KAT8 Q9H7Z6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29757688 0.94 PRSS1 (0.44) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL3799939 0.91 PPARA (0.40) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL20577652 0.87 PPARA (0.38) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL621545 0.85 ALDH1A1 (0.48) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL541935 0.84 PPARA (0.38) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL6444607 0.82 ALDH1A1 (0.48) PPARAALDH1A1PPARGKAT8KDM4E
SCHEMBL27208715 0.82 PPARA (0.47) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL29884308 0.81 PPARA (0.44) PPARAALDH1A1PPARGKAT8KDM4E
SCHEMBL31500833 0.81 PPARA (0.49) PPARAALDH1A1PRSS1PRSS2PRSS3
SCHEMBL3797108 0.81 ALDH1A1 (0.42) PPARAALDH1A1PRSS1PRSS2PRSS3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321315-B1 PLASTICIZER COMPOSITION, RESIN COMPOSITION, AND METHOD FOR PREPARING SAME LG CHEMICAL LTD (KR) 2025-04-16 EP claimed
EP-3395873-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2024-02-14 EP claimed
EP-3398987-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2023-04-19 EP claimed
US-11572453-B2 Plasticizer composition and resin composition including the same LG CHEM, LTD. (KR) 2023-02-07 US claimed
US-11427699-B2 Plasticizer composition, resin composition and methods of preparing the same LG CHEM, LTD. (KR) 2022-08-30 US claimed
EP-3327076-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2022-06-29 EP claimed
EP-3369771-B1 PLASTICIZER COMPOSITION, RESIN COMPOSITION, AND METHODS FOR PREPARING SAME LG CHEMICAL LTD (KR) 2021-06-09 EP claimed
US-20180237614-A1 PLASTICIZER COMPOSITION, RESIN COMPOSITION AND METHODS OF PREPARING THE SAME (As Amended) LG CHEM, LTD. (KR) 2018-08-23 US claimed
US-20180237613-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2018-08-23 US claimed
EP-3327076-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2018-05-30 EP claimed
EP-3321315-A1 PLASTICIZER COMPOSITION, RESIN COMPOSITION, AND METHOD FOR PREPARING SAME LG Chem, Ltd. (KR) 2018-05-16 EP claimed
EP-2136767-B1 COSMETIC COMPOSITIONS CONTAINING ESTERS BASED ON 2-PROPYL HEPTANOL COGNIS IP MAN GMBH (DE) 2016-12-14 EP claimed
EP-2851393-B1 METHOD FOR PREPARING ESTER-BASED PLASTICIZER, AND ESTER-BASED PLASTICIZER PREPARED THEREBY LG CHEMICAL LTD (KR) 2016-12-07 EP claimed
US-9127141-B2 Method of preparing ester plasticizer and ester plasticizer prepared therefrom LG CHEM, LTD. (KR) 2015-09-08 US claimed
EP-2851393-A1 METHOD FOR PREPARING ESTER-BASED PLASTICIZER, AND ESTER-BASED PLASTICIZER PREPARED THEREBY LG Chem, Ltd. (KR) 2015-03-25 EP claimed
US-20140336320-A1 METHOD OF PREPARING ESTER PLASTICIZER AND ESTER PLASTICIZER PREPARED THEREFROM LG CHEM, LTD. (KR) 2014-11-13 US claimed
US-8633333-B2 Cosmetic compositions comprising esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-01-21 US claimed
US-20130006010-A1 Cosmetic Compositions Comprising Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2013-01-03 US claimed
US-20100120910-A1 Cosmetic Compositions Comprising Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2010-05-13 US claimed
EP-3321315-B1 PLASTICIZER COMPOSITION, RESIN COMPOSITION, AND METHOD FOR PREPARING SAME LG CHEMICAL LTD (KR) 2025-04-16 EP disclosed
US-20230383052-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, PREPARATION METHOD THEREOF, AND RECYCLED PLASTIC, MOLDED PRODUCT, PLASTICIZER COMPOSITION USING THE SAME LG CHEM, LTD. (KR) 2023-11-30 US disclosed
US-20230374247-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, PREPARATION METHOD THEREOF, AND RECYCLED PLASTIC, MOLDED PRODUCT, PLASTICIZER COMPOSITION USING THE SAME LG CHEM, LTD. (KR) 2023-11-23 US disclosed
US-20230374250-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, PREPARATION METHOD THEREOF, AND RECYCLED PLASTIC, MOLDED PRODUCT, PLASTICIZER COMPOSITION USING THE SAME LG CHEM, LTD. (KR) 2023-11-23 US disclosed
US-20230357495-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, PREPARATION METHOD THEREOF, AND RECYCLED PLASTIC, MOLDED PRODUCT, PLASTICIZER COMPOSITION USING THE SAME LG CHEM, LTD. (KR) 2023-11-09 US disclosed
EP-4206268-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, METHOD FOR MANUFACTURING SAME, AND RECYCLED PLASTIC, MOLDED ARTICLE, AND PLASTICIZER COMPOSITION USING SAME Lg Chem, Ltd. (KR) 2023-07-05 EP disclosed
EP-4206270-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, METHOD FOR PREPARING SAME, AND RECYCLED PLASTIC, MOLDED ARTICLE, AND PLASTICIZER COMPOSITION USING SAME Lg Chem, Ltd. (KR) 2023-07-05 EP disclosed
EP-4206269-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, METHOD FOR MANUFACTURING SAME, AND RECYCLED PLASTIC, MOLDED ARTICLE, AND PLASTICIZER COMPOSITION USING SAME Lg Chem, Ltd. (KR) 2023-07-05 EP disclosed
EP-4201988-A1 MONOMER COMPOSITION FOR SYNTHESIZING RECYCLED PLASTIC, PREPARATION METHOD THEREFOR, AND RECYCLED PLASTIC, MOLDED ARTICLE, AND PLASTICIZER COMPOSITION EACH USING SAME Lg Chem, Ltd. (KR) 2023-06-28 EP disclosed
US-11572453-B2 Plasticizer composition and resin composition including the same LG CHEM, LTD. (KR) 2023-02-07 US disclosed
EP-3589707-B1 COATING COMPOSITION COMPRISING PVC AND PLASTICIZERS BASF SE (DE) 2022-10-05 EP disclosed
US-11427699-B2 Plasticizer composition, resin composition and methods of preparing the same LG CHEM, LTD. (KR) 2022-08-30 US disclosed
EP-3327076-B1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG CHEMICAL LTD (KR) 2022-06-29 EP disclosed
US-10150727-B2 Ester compound, plasticizer composition including the same, preparation method of the plasticizer composition and resin composition including the plasticizer composition LG CHEM, LTD. (KR) 2018-12-11 US disclosed
WO-2018158291-A1 COATING AGENT COMPOSITION CONTAINING PVC AND PLASTICIZING COMPONENTS BASF SE (DE) 2018-09-07 WO disclosed
US-20180237614-A1 PLASTICIZER COMPOSITION, RESIN COMPOSITION AND METHODS OF PREPARING THE SAME (As Amended) LG CHEM, LTD. (KR) 2018-08-23 US disclosed
US-20180237613-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LG CHEM, LTD. (KR) 2018-08-23 US disclosed
EP-3327076-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2018-05-30 EP disclosed
EP-3321315-A1 PLASTICIZER COMPOSITION, RESIN COMPOSITION, AND METHOD FOR PREPARING SAME LG Chem, Ltd. (KR) 2018-05-16 EP disclosed
WO-2018024597-A1 PLASTICIZER COMPOSITION BASF SE (DE) 2018-02-08 WO disclosed
US-9670128-B2 Plasticizer composition comprising di(2-ethylhexyl) terephthalate BASF SE (DE) 2017-06-06 US disclosed
US-20170145186-A1 MOULDING MATERIALS CONTAINING DICARBOXYLIC ACID ESTER AND 1,2-CYCLOHEXANE DICARBOXYLIC ACID ESTER BASF SE (DE) 2017-05-25 US disclosed
EP-3107888-A1 A PLASTICIZER COMPOSITION COMPRISING DI(2-ETHYLHEXYL) TEREPHTHALATE BASF SE (DE) 2016-12-28 EP disclosed
EP-2851393-B1 METHOD FOR PREPARING ESTER-BASED PLASTICIZER, AND ESTER-BASED PLASTICIZER PREPARED THEREBY LG CHEMICAL LTD (KR) 2016-12-07 EP disclosed
US-20160159726-A1 PLASTICIZER COMPOSITION COMPRISING DI(2-ETHYLHEXYL) TEREPHTHALATE BASF CORPORATION 2016-06-09 US disclosed
US-9309183-B2 Plasticizer composition comprising di(2-ethylhexyl) terephthalate BASF CORPORATION (US) 2016-04-12 US disclosed
US-20160075671-A1 TETRAHYDROFURAN DERIVATIVES AND USE THEREOF AS PLASTICIZERS BASF SE (DE) 2016-03-17 US disclosed
US-9127141-B2 Method of preparing ester plasticizer and ester plasticizer prepared therefrom LG CHEM, LTD. (KR) 2015-09-08 US disclosed
WO-2015126391-A1 A PLASTICIZER COMPOSITION COMPRISING DI(2-ETHYLHEXYL) TEREPHTHALATE BASF SE (DE) 2015-08-27 WO disclosed
US-20150232411-A1 PLASTICIZER COMPOSITION COMPRISING DI(2-ETHYLHEXYL) TEREPHTHALATE BASF CORPORATION 2015-08-20 US disclosed
EP-2851393-A1 METHOD FOR PREPARING ESTER-BASED PLASTICIZER, AND ESTER-BASED PLASTICIZER PREPARED THEREBY LG Chem, Ltd. (KR) 2015-03-25 EP disclosed
US-20140336320-A1 METHOD OF PREPARING ESTER PLASTICIZER AND ESTER PLASTICIZER PREPARED THEREFROM LG CHEM, LTD. (KR) 2014-11-13 US disclosed
US-8633244-B2 Cosmetic compositions comprising esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-01-21 US disclosed
US-8633333-B2 Cosmetic compositions comprising esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-01-21 US disclosed
US-20130006010-A1 Cosmetic Compositions Comprising Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2013-01-03 US disclosed
US-20130004555-A1 Cosmetic Compositions Comprising Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2013-01-03 US disclosed
US-8288436-B2 Cosmetic compositions comprising esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2012-10-16 US disclosed
US-20100120910-A1 Cosmetic Compositions Comprising Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2010-05-13 US disclosed
US-20100120910-A1 Cosmetic Compositions Comprising Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2010-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150232411-A1 PLASTICIZER COMPOSITION COMPRISING DI(2-ETHYLHEXYL) TEREPHTHALATE LARS1, LCP1, PLOD1 PPARA 412/4885ALDH1A1 2338/4885PRSS1 3223/4885
US-11572453-B2 Plasticizer composition and resin composition including the same GABRD, TAF5, TERB1 PPARA 189/4885ALDH1A1 1542/4885PRSS1 3883/4885
US-11427699-B2 Plasticizer composition, resin composition and methods of preparing the same TERB1, RBBP9, RBBP7 PPARA 838/4885ALDH1A1 2759/4885PRSS1 4059/4885
US-20160159726-A1 PLASTICIZER COMPOSITION COMPRISING DI(2-ETHYLHEXYL) TEREPHTHALATE TERT, F3, ALK PPARA 553/4885ALDH1A1 1182/4885PRSS1 2195/4885
US-20140336320-A1 METHOD OF PREPARING ESTER PLASTICIZER AND ESTER PLASTICIZER PREPARED THEREFROM NOTUM, CYP4F2, CYP4F12 PPARA 358/4885ALDH1A1 66/4885PRSS1 3249/4885
US-20160075671-A1 TETRAHYDROFURAN DERIVATIVES AND USE THEREOF AS PLASTICIZERS CBR3, CBR1, TERT PPARA 2391/4885ALDH1A1 446/4885PRSS1 2766/4885
US-20180237613-A1 PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME LCP1, VCL, VMA21 PPARA 694/4885ALDH1A1 3204/4885PRSS1 2983/4885
US-10150727-B2 Ester compound, plasticizer composition including the same, preparation method of the plasticizer composition and resin composition including the plasticizer composition ELL, ELOVL5, ELOVL6 PPARA 347/4885ALDH1A1 2567/4885PRSS1 3969/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.