SCHEMBL6969767

SCHEMBL6969767

CC(C)CNC(=O)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
EPHX1 P07099 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL12283742 0.84 TSHR (0.39) CYP2D6CYP2C19HPGDTSHRKMT2A
SCHEMBL10828218 0.84 TSHR (0.39) CYP2D6CYP2C19HPGDTSHRKMT2A
SCHEMBL20718465 0.82 TSHR (0.37) CYP2D6CYP2C19HPGDTSHRKMT2A
SCHEMBL20908170 0.82 TSHR (0.37) CYP2D6CYP2C19HPGDTSHRKMT2A
SCHEMBL24261161 0.80 ALOX15 (0.41) CYP2D6CYP2C19HPGDTSHRKMT2A
SCHEMBL21674055 0.80 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL15759434 0.80 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL6755678 0.80
SCHEMBL18776567 0.80 TSHR (0.43) CYP2D6CYP2C19HPGDTSHRKMT2A
Hydrochloric Acid SCHEMBL11409141 0.79 TSHR (0.39) CYP2D6CYP2C19HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024005460-A1 COMPOUND COMPRISING SELF-IMMOLATIVE GROUP AND LIGAND-DRUG CONJUGATE COMPRISING SAME 주식회사 트리오어 2024-01-04 WO disclosed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-20230227798-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-07-20 US disclosed
US-20230227798-A1 MODIFIED THERMOCCOCUS POLYMERASES FIRST-CITIZENS BANK & TRUST COMPANY 2023-07-20 US disclosed
US-11697736-B2 Silicon containing detectable compounds Singular Genomics Systems, Inc. (US) 2023-07-11 US disclosed
US-11697736-B2 Silicon containing detectable compounds Singular Genomics Systems, Inc. (US) 2023-07-11 US disclosed
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-11535754-B2 Silicon containing detectable compounds and uses thereof Singular Genomics Systems, Inc. (US) 2022-12-27 US disclosed
US-20220119779-A1 MODIFIED PYROCOCCUS POLYMERASES AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2022-04-21 US disclosed
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT MSD K.K. (JP) 2011-01-13 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
CN-1942099-A Fungicidal mixtures BASF AG (DE) 2007-04-04 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-4386033-A BOILING, CONDENSATION OF VAPORS, CIRCULATION; SEPARATION BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 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-11697736-B2 Silicon containing detectable compounds AS3MT, SCLY, NASP CYP2D6 3294/4885CYP2C19 4157/4885MMP1 1164/4885
US-20110009622-A1 LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT ELOVL1, ELOVL6, ELOVL3 CYP2D6 187/4885CYP2C19 475/4885MMP1 1688/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2D6 594/4885CYP2C19 418/4885MMP1 3538/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2D6 497/4885CYP2C19 180/4885MMP1 4227/4885
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS AS3MT, SCLY, NASP CYP2D6 3294/4885CYP2C19 4157/4885MMP1 1164/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2D6 478/4885CYP2C19 392/4885MMP1 4554/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E CYP2D6 465/4885CYP2C19 712/4885MMP1 1226/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 CYP2D6 645/4885CYP2C19 1346/4885MMP1 3837/4885

“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.