SCHEMBL17169728

SCHEMBL17169728

CC(C)CCOCCCOCC(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CES2 O00748 2/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CA1 P00915 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL17169735 0.96 TDP1 (0.45) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL13599217 0.92 TDP1 (0.47) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL22856286 0.92 TDP1 (0.47) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL17169723 0.92 TDP1 (0.47) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL13599213 0.92 TDP1 (0.47) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL23568359 0.92 TDP1 (0.47) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL15112768 0.92 TDP1 (0.50) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL17169717 0.91 TDP1 (0.37) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL17169721 0.89 CES2 (0.39) TDP1KDM4EHSD17B10ALDH1A1NPC1
SCHEMBL22861714 0.89 TDP1 (0.38) TDP1KDM4EHSD17B10ALDH1A1NPC1

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 TDP1 4175/4885KDM4E 3738/4885HSD17B10 4250/4885
US-20160214972-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ESRRA, MDM2 TDP1 3884/4885KDM4E 570/4885HSD17B10 212/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 TDP1 2849/4885KDM4E 1613/4885HSD17B10 3818/4885
US-20170008904-A1 MDM2-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, XIAP, TP53 TDP1 1412/4885KDM4E 2212/4885HSD17B10 3330/4885
US-20160058872-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N TDP1 1896/4885KDM4E 498/4885HSD17B10 3884/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 TDP1 985/4885KDM4E 1450/4885HSD17B10 4294/4885
US-20180072711-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 TDP1 2059/4885KDM4E 676/4885HSD17B10 805/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA TDP1 3660/4885KDM4E 650/4885HSD17B10 232/4885
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TBKBP1, TNKS TDP1 680/4885KDM4E 873/4885HSD17B10 3995/4885
US-20150291562-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE CRBN, MDM2, UBE2N TDP1 1896/4885KDM4E 498/4885HSD17B10 3884/4885
US-20230242506-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS TEAD1, TEAD2, TEAD4 TDP1 361/4885KDM4E 2141/4885HSD17B10 836/4885
US-20160272639-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP TDP1 3568/4885KDM4E 1271/4885HSD17B10 2866/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN TDP1 561/4885KDM4E 2704/4885HSD17B10 3623/4885
US-11857519-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL TDP1 2137/4885KDM4E 1205/4885HSD17B10 3204/4885
US-11666581-B2 PROTAC antibody conjugates and methods of use PSMA3, PSMA6, PSMA2 TDP1 4175/4885KDM4E 3738/4885HSD17B10 4250/4885
US-20170037004-A1 ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE XIAP, BIRC3, BIRC2 TDP1 1228/4885KDM4E 2714/4885HSD17B10 2495/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 TDP1 2216/4885KDM4E 3016/4885HSD17B10 2792/4885
US-20160045607-A1 ESTROGEN-RELATED RECEPTOR ALPHA BASED PROTAC COMPOUNDS AND ASSOCIATED METHODS OF USE GPER1, PSMA3, ESR2 TDP1 4625/4885KDM4E 1169/4885HSD17B10 1922/4885
US-11834460-B2 Imide-based modulators of proteolysis and associated methods of use CRBN, MDM2, UBE2N TDP1 1896/4885KDM4E 498/4885HSD17B10 3884/4885

“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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