SCHEMBL4868550

SCHEMBL4868550

COC(=O)[C@@H]1CCC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
PARP1 P09874 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL17014460 1.00 BRD4 (0.47) BRD4THRBKMT2ATP53MMP2
SCHEMBL1139285 1.00 BRD4 (0.47) BRD4THRBKMT2ATP53MMP2
SCHEMBL3577499 0.88 THRB (0.53) BRD4THRBKMT2ATP53MMP2
SCHEMBL1700624 0.88 THRB (0.53) BRD4THRBKMT2ATP53MMP2
SCHEMBL791232 0.87 BRD4 (0.46) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL8892851 0.86 THRB (0.47) BRD4THRBKMT2ATP53MMP2
SCHEMBL8912926 0.85 SMN1; SMN2 (0.47) BRD4THRBKMT2ATP53MMP2
Ethylene SCHEMBL6587621 0.85 THRB (0.50) BRD4THRBKMT2ATP53MMP2
Ethylene SCHEMBL11701928 0.83 BRD4 (0.43) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL872959 0.82

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
CN-117177969-A Compound with benzyloxy aryl ether structure, preparation method and application thereof 中国科学院上海药物研究所 2023-12-05 CN disclosed
WO-2023169371-A1 COMPOUND HAVING BENZYLOXY ARYL ETHER STRUCTURE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-09-14 WO disclosed
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof VASADE BIOSCIENCES, INC. 2018-09-25 US disclosed
WO-2017222946-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF VASADE BIOSCIENCES (US) 2017-12-28 WO disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 US disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 US disclosed
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 US disclosed
WO-2014065413-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF 日本たばこ産業株式会社 (JP) 2014-05-01 WO disclosed
US-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2012-12-20 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 US disclosed
US-7323604-B2 Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-29 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
WO-2007016476-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-02-08 WO disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-07-20 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 BRD4 1311/4885THRB 4256/4885KMT2A 2966/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP BRD4 1664/4885THRB 4551/4885KMT2A 3449/4885
US-10081633-B2 Adenylyl cyclase inhibitors, pharmaceutical compositions and method of use thereof ADCY1, ADCY2, ADCY5 BRD4 3031/4885THRB 2198/4885KMT2A 4301/4885
US-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 BRD4 3031/4885THRB 2198/4885KMT2A 4301/4885
US-20120322837-A1 AMIDE COMPOUND AND MEDICINAL USE THEREOF SLC10A2, SLC10A1, SLC5A11 BRD4 534/4885THRB 3824/4885KMT2A 770/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP BRD4 1664/4885THRB 4551/4885KMT2A 3449/4885
US-20060161024-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts ECH1, CBR1, DHCR24 BRD4 2652/4885THRB 3172/4885KMT2A 2529/4885
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB BRD4 2615/4885THRB 1302/4885KMT2A 3826/4885

“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.