SCHEMBL9476115

SCHEMBL9476115

CCCCCCOc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.62
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
PDE4A P27815 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
TBXAS1 P24557 1/20 0.56
NR5A1 Q13285 1/20 0.54
LTA4H P09960 1/20 0.53
RARB P10826 3/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 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
SCHEMBL9140317 1.00 PLA2G4B (0.62) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7484161 0.95 SMN1; SMN2 (0.62) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9619201 0.94 PLA2G4B (0.56) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9619334 0.94 PLA2G4B (0.60) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL3801206 0.89 TBXAS1 (0.60) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL13348627 0.89 KDM4E (0.66) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL11566931 0.88 MAPT (0.58) PLA2G4BTSHRTBXAS1LTA4HLMNA
SCHEMBL11566670 0.88 MAPT (0.58) PLA2G4BTSHRTBXAS1LTA4HLMNA
SCHEMBL27855929 0.88 TBXAS1 (0.54) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL27855918 0.87 TBXAS1 (0.55) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-5243066-A ALKYL 2-ARYL-2,2-DIALKOXYACETATES, THE PREPARATION THEREOF AND A METHOD OF USING THEM FOR PREPARING ARYLGLYOXYLIC ESTERS BASF AKTIENGESELLSCHAFT (DE) 1993-09-07 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 (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-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH PLA2G4B 3360/4885KDM4E 962/4885CYP1A2 25/4885

“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.