SCHEMBL7484161

SCHEMBL7484161

CCCCOc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
PDE4A P27815 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
TBXAS1 P24557 1/20 0.60
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
PLA2G4B P0C869 1/20 0.55
MAPK1 P28482 1/20 0.52
LTA4H P09960 3/20 0.52

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
SCHEMBL9476115 0.95 PLA2G4B (0.62) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9140317 0.95 PLA2G4B (0.62) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL3801206 0.93 TBXAS1 (0.60) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL13348627 0.93 KDM4E (0.66) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL10726761 0.90 LTA4H (0.57) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL6781796 0.90 TBXAS1 (0.57) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9619334 0.90 PLA2G4B (0.60) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9619201 0.90 PLA2G4B (0.56) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL3581393 0.89 TBXAS1 (0.56) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL181473 0.88 HPGD (0.61) SMN1; SMN2TBXAS1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340506-B2 Acetamide derivatives as glucokinase activators, their process and medicinal applications ADVINUS THERAPEUTICS LIMITED (IN) 2016-05-17 US disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-20120214735-A1 ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS LIMITED (IN) 2012-08-23 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed
EP-0003670-A1 Preparation of alkyl 2-aryl acrylates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-08-22 EP 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 (4 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 SMN1; SMN2 1997/4885KDM4E 2706/4885CYP1A2 1438/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 SMN1; SMN2 1997/4885KDM4E 2706/4885CYP1A2 1438/4885
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH SMN1; SMN2 4502/4885KDM4E 962/4885CYP1A2 25/4885
US-20120214735-A1 ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS GCK, GCKR, ALDOA SMN1; SMN2 1756/4885KDM4E 3894/4885CYP1A2 595/4885

“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.