SCHEMBL4600499

SCHEMBL4600499

CC1(C)CCCC(C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.60
CYP1A2 P05177 3/20 0.44
TSHR P16473 3/20 0.44
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
GRM4 Q14833 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM5 P41594 1/20 0.44
MTOR P42345 1/20 0.44
GRM1 Q13255 1/20 0.44
PLCB1 Q9NQ66 1/20 0.44
SLC6A1 P30531 2/20 0.38
SLC6A11 P48066 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A13 Q9NSD5 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
Hydrochloric Acid SCHEMBL8320325 0.98 APLNR (0.58) APLNRCYP1A2TSHRGRM2GRM3
SCHEMBL17212627 0.86 APLNR (0.65) APLNRCYP1A2TSHRGRM2GRM3
SCHEMBL23590185 0.86 APLNR (0.65) APLNRCYP1A2TSHRGRM2GRM3
SCHEMBL8318891 0.86 APLNR (0.65) APLNRCYP1A2TSHRGRM2GRM3
3-Methylbutanoic Acid SCHEMBL28165074 0.85 APLNR (0.44) APLNRCYP1A2TSHRGRM2GRM3
SCHEMBL8933185 0.84 APLNR (0.44) APLNRCYP1A2HSD11B1
SCHEMBL30879578 0.83 APLNR (0.43) APLNRCYP1A2HSD11B1GABRPGABRD
SCHEMBL715584 0.83 APLNR (0.43) APLNRCYP1A2HSD11B1GABRPGABRD
SCHEMBL23457777 0.83 APLNR (0.43) APLNRCYP1A2HSD11B1GABRPGABRD
SCHEMBL28598649 0.81 APLNR (0.41) APLNRCYP1A2LMNATDP1SMN1; SMN2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171295-A1 CATALYST COMPOSITION AND PROCESS USING SAME MOMENTIVE PERFORMANCE MATERIALS INC. 2014-06-19 US claimed
EP-1913048-A1 CATALYST COMPOSITION AND PROCESS USING SAME Momentive Performance Materials Inc. (US) 2008-04-23 EP claimed
WO-2006138050-A1 CATALYST COMPOSITION AND PROCESS USING SAME MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2006-12-28 WO claimed
US-20060281827-A1 Catalyst composition and process using same MOMENTIVE PERFORMANCE MATERIALS INC. 2006-12-14 US claimed
CN-110790981-B PVC plasticizer and preparation method thereof 克拉通聚合物研究有限公司 2024-01-12 CN disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-10927234-B2 PVC plasticizers and methods for making thereof KRATON POLYMERS U.S. LLC (US) 2021-02-23 US disclosed
US-20200040160-A1 PVC Plasticizers and Methods for Making Thereof KRATON POLYMERS LLC (US) 2020-02-06 US disclosed
EP-3604418-A1 PVC PLASTICIZERS AND METHODS FOR MAKING THEREOF Kraton Polymers Research B.V. (NL) 2020-02-05 EP disclosed
EP-3275962-B1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2019-10-02 EP disclosed
US-20190218367-A1 PVC Plasticizers and Methods for Making Thereof KRATON POLYMERS LLC (US) 2019-07-18 US disclosed
WO-2016106623-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
US-8729146-B2 Catalyst composition and process using same MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2014-05-20 US disclosed
EP-1913048-A1 CATALYST COMPOSITION AND PROCESS USING SAME Momentive Performance Materials Inc. (US) 2008-04-23 EP disclosed
WO-2006138050-A1 CATALYST COMPOSITION AND PROCESS USING SAME MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2006-12-28 WO disclosed
US-20060281827-A1 Catalyst composition and process using same MOMENTIVE PERFORMANCE MATERIALS INC. 2006-12-14 US disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
CN-1042335-C 1-acylpiperidine compounds NORVATIS AG (CH) 1999-03-03 CN disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
CN-1089261-A The 1-acylpiperidine compounds CIBA GEIGY AG (CH) 1994-07-13 CN 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 (2 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-10927234-B2 PVC plasticizers and methods for making thereof DDT, FASN, FDFT1 APLNR 415/4885CYP1A2 978/4885TSHR 1812/4885
US-20190218367-A1 PVC Plasticizers and Methods for Making Thereof DDT, FASN, FDFT1 APLNR 415/4885CYP1A2 978/4885TSHR 1812/4885

“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.