SCHEMBL17169725

SCHEMBL17169725

CC(C)CCCCCOCC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.38
▸ RARB P10826 1/20 0.37
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ BLM P54132 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G2C Q5R387 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL17169724 0.98 TDP1 (0.39) CES2TDP1RARBKDM4CKDM4A
SCHEMBL17169721 0.96 CES2 (0.39) CES2TDP1RARBKDM4CKDM4A
SCHEMBL27056862 0.96 CES2 (0.39) CES2TDP1RARBKDM4CKDM4A
SCHEMBL17169716 0.96 TDP1 (0.38) CES2TDP1RARBKDM4CKDM4A
SCHEMBL17169717 0.94 TDP1 (0.37) CES2TDP1RARBKDM4CKDM4A
SCHEMBL17169715 0.92 TDP1 (0.38) CES2TDP1RARBBLMKDM4E
SCHEMBL25468162 0.92 TDP1 (0.40) CES2TDP1RARBBLMLMNA
SCHEMBL17169735 0.89 TDP1 (0.45) CES2TDP1RARBKDM4EHSD17B10
SCHEMBL21107011 0.89 TDP1 (0.38) CES2TDP1RARBBLMKDM4E
SCHEMBL22861714 0.89 TDP1 (0.38) CES2TDP1RARBBLMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 — — US disclosed
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2024-01-02 — — US disclosed
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use YALE UNIVERSITY (US) 2023-12-05 — — US disclosed
US-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE GENENTECH, INC. 2023-10-19 — — US disclosed
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS GENENTECHT, INC. (US) 2023-08-03 — — US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 — — US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 — — US disclosed
US-11666581-B2 PROTAC antibody conjugates and methods of use GENENTECH, INC. (US) 2023-06-06 — — US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 — — US disclosed
US-20230167450-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-06-01 — — US disclosed
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-05-31 — — US disclosed
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-03-15 — — US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 — — US disclosed
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-02-09 — — US disclosed
US-20170008904-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2017-01-12 — — US disclosed
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2016-09-22 — — US disclosed
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2016-07-28 — — US disclosed
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2016-03-03 — — US disclosed
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2016-02-18 — — US disclosed
US-20150291562-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2015-10-15 — — 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 (19 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-20230330102-A1 PROTAC ANTIBODY CONJUGATES AND METHODS OF USE PSMA3, PSMA6, PSMA2 CES2 3468/4885TDP1 4175/4885RARB 3241/4885
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ESRRA, MDM2 CES2 2283/4885TDP1 3884/4885RARB 566/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CES2 2381/4885TDP1 2849/4885RARB 2793/4885
US-20170008904-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, XIAP, TP53 CES2 4257/4885TDP1 1412/4885RARB 3526/4885
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N CES2 2334/4885TDP1 1896/4885RARB 2921/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CES2 3781/4885TDP1 985/4885RARB 2027/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 CES2 1038/4885TDP1 2059/4885RARB 1114/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA CES2 2289/4885TDP1 3660/4885RARB 612/4885
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TBKBP1, TNKS CES2 4513/4885TDP1 680/4885RARB 2625/4885
US-20150291562-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N CES2 2334/4885TDP1 1896/4885RARB 2921/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 CES2 1824/4885TDP1 361/4885RARB 1871/4885
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP CES2 3510/4885TDP1 3568/4885RARB 3548/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN CES2 2582/4885TDP1 561/4885RARB 3532/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL CES2 3156/4885TDP1 2137/4885RARB 1987/4885
US-11666581-B2 PROTAC antibody conjugates and methods of use PSMA3, PSMA6, PSMA2 CES2 3468/4885TDP1 4175/4885RARB 3241/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 CES2 3961/4885TDP1 1228/4885RARB 3393/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 CES2 2984/4885TDP1 2216/4885RARB 1981/4885
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE GPER1, PSMA3, ESR2 CES2 4135/4885TDP1 4625/4885RARB 1125/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N CES2 2334/4885TDP1 1896/4885RARB 2921/4885

“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.

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