SCHEMBL803447

SCHEMBL803447

CCOC(=O)CCCc1ccc(C(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
MAPK1 P28482 2/20 0.61
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP4Z1 Q86W10 3/20 0.57
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
CYP4F11 Q9HBI6 1/20 0.57
CYP4F12 Q9HCS2 1/20 0.57
ALOX5 P09917 1/20 0.55
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6847256 0.90 CYP4F2 (0.70) HSD17B10MAPK1GAANPSR1TDP1
SCHEMBL7806829 0.87 ALOX5 (0.58) HSD17B10MAPK1GAANPSR1TDP1
SCHEMBL5009822 0.86 MAPK1 (0.63) HSD17B10MAPK1GAANPSR1TDP1
SCHEMBL7175928 0.86 MAPK1 (0.56) HSD17B10MAPK1GAANPSR1TDP1
SCHEMBL10289874 0.85 CYP4F2 (0.62) MAPK1GAANPSR1TDP1CYP4Z1
SCHEMBL765847 0.85 CYP4F2 (0.62) MAPK1GAANPSR1TDP1CYP4Z1
SCHEMBL765000 0.85 CYP4F2 (0.62) MAPK1GAANPSR1TDP1CYP4Z1
SCHEMBL8896434 0.83 HSD17B10 (0.67) HSD17B10MAPK1GAANPSR1TDP1
SCHEMBL5050631 0.83 CYP4F2 (0.60) HSD17B10MAPK1GAANPSR1TDP1
SCHEMBL22334798 0.83 CYP4F2 (0.65) MAPK1GAANPSR1TDP1CYP4Z1

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-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
EP-0692982-B1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT PHARM CO (US) 2000-07-05 EP disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
US-5964919-A STABILIZING THE ACTIVE ZINC BY SUSPENDING IN A CONTAINER WITH AN SOLVENT SELECT FROM ETHER, HYDROCARBON, AROMATIC HYDROCARABON OR APROTIC SOLVENT UNDER INERT GAS, SEALING THE CONTAINER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-10-12 US disclosed
EP-0625164-B1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa DU PONT MERCK PHARMA (US) 1999-04-07 EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP 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
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
US-5358546-A Reacting a zinc compound with a reducting agent BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-10-25 US 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-1993015086-A1 HIGHLY REACTIVE FORMS OF ZINC AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-08-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HSD17B10 4316/4885MAPK1 1137/4885GAA 3227/4885

“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.