SCHEMBL552091

SCHEMBL552091

O=C(O)c1ccc2c(c1)C(=O)CCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TDP2 O95551 1/20 0.49
SRD5A2 P31213 4/20 0.49
SRD5A1 P18405 3/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
CYP2A6 P11509 1/20 0.48
PRKCI P41743 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
PBRM1 Q86U86 1/20 0.46
TTR P02766 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PTPRC P08575 2/20 0.43
RXRB P28702 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL29545918 1.00 ALDH1A1 (0.65) ALDH1A1TDP2SRD5A2SRD5A1MAOA
SCHEMBL13131600 0.96 ALDH1A1 (0.59) ALDH1A1TDP2SRD5A2SRD5A1MAOA
SCHEMBL785704 0.89 PBRM1 (0.58) ALDH1A1TDP2SRD5A2SRD5A1KDM4E
SCHEMBL356493 0.86 ALDH1A1 (0.65) ALDH1A1SRD5A2SRD5A1MAOAMAOB
SCHEMBL29546005 0.86 ALDH1A1 (0.65) ALDH1A1SRD5A2SRD5A1MAOAMAOB
SCHEMBL30853867 0.84 BRD4 (0.48) ALDH1A1MAOAMAOBCYP2A6PRKCI
SCHEMBL27485186 0.84 BRD4 (0.48) ALDH1A1MAOAMAOBCYP2A6PRKCI
SCHEMBL18159338 0.84 NPC1 (0.53) ALDH1A1MAOAMAOBCYP2A6PRKCI
SCHEMBL1091562 0.82 ALDH1A1 (0.59) ALDH1A1SRD5A2SRD5A1MAOAMAOB
SCHEMBL29446230 0.80 SMN1; SMN2 (0.50) ALDH1A1SRD5A2SRD5A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230457-B 2-benzylidene tetralone derivatives, and preparation method and application thereof 中山大学 2023-06-09 CN disclosed
CN-114230457-A 2-benzylidene tetralone derivatives and preparation method and application thereof 中山大学 2022-03-25 CN disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120035131-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2012-02-09 US disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
EP-0691987-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP disclosed
WO-1995023811-A1 NOVEL CARBOCYCLIC COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION BY INTERACTION WITH THE GPIIB/IIIA RECEPTOR COMPLEX THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-08 WO disclosed
US-5405844-A Tetracyclic antibiotics and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
WO-1994026779-A1 PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-24 WO disclosed
EP-0625164-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-23 EP disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1993007170-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO disclosed
US-4602022-A VASODILATORS, ANTIAGGREGANT AGENTS, ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS FARMITALIA CARLO ERBA, S.P.A. (IT) 1986-07-22 US disclosed
US-4510149-A VASODILATORS, HYPOTENSIVE AGENTS, ANTIARTHRITIC AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1985-04-09 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 (3 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-20120035131-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 ALDH1A1 1197/4885TDP2 1881/4885SRD5A2 2036/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 ALDH1A1 1197/4885TDP2 1881/4885SRD5A2 2036/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885TDP2 2796/4885SRD5A2 3255/4885

“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.