SCHEMBL4206339

SCHEMBL4206339

O=C(O)CCc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.60
GRIN2A Q12879 1/20 0.60
GRIN2B Q13224 1/20 0.60
GRIN2C Q14957 1/20 0.60
CYP1A2 P05177 1/20 0.56
FFAR1 O14842 3/20 0.50
FFAR4 Q5NUL3 2/20 0.49
TBXAS1 P24557 1/20 0.49
APEX1 P27695 1/20 0.48
PDPK1 O15530 1/20 0.48
SRD5A2 P31213 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KEAP1 Q14145 1/20 0.47
DHODH Q02127 1/20 0.46

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
SCHEMBL9670503 0.89 CYP1A2 (0.67) CYP1A2FFAR1FFAR4PDPK1KDM4E
SCHEMBL17592174 0.82 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CTBXAS1
SCHEMBL30403190 0.81 CYP1A2 (0.80) CYP1A2FFAR1FFAR4PDPK1KEAP1
SCHEMBL12889161 0.81 CYP1A2 (0.59) CYP1A2FFAR1FFAR4PDPK1KDM4E
SCHEMBL1217683 0.81 CYP1A2 (0.80) CYP1A2FFAR1FFAR4PDPK1KEAP1
SCHEMBL11468664 0.81 PTGS1 (0.59) GRIN2DGRIN2AGRIN2BGRIN2CTBXAS1
Adipic Acid SCHEMBL9893298 0.81 KDM4E (0.53) GRIN2DGRIN2AGRIN2BGRIN2CCYP1A2
Glutarate SCHEMBL29026188 0.81 KDM4E (0.53) GRIN2DGRIN2AGRIN2BGRIN2CCYP1A2
SCHEMBL12267750 0.81 GRIN2D (0.58) GRIN2DGRIN2AGRIN2BGRIN2CTBXAS1
SCHEMBL264975 0.81 FFAR1 (0.65) FFAR1FFAR4SRD5A2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498068-B2 Liquid-crystal aligning agent, liquid-crystal alignment film comprising the same, and liquid-crystal element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-03 US disclosed
US-7498068-B2 Liquid-crystal aligning agent, liquid-crystal alignment film comprising the same, and liquid-crystal element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-03 US disclosed
US-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CAGE PETER 2009-01-08 US disclosed
US-20070224370-A1 Liquid-Crystal Aligning Agent, Liquid-Crystal Alignment Film Comprising the Same, and Liquid-Crystal Element NISSAN CHEMICALS INDUSTRIES, LTD. (JP) 2007-09-27 US disclosed
US-20070224370-A1 Liquid-Crystal Aligning Agent, Liquid-Crystal Alignment Film Comprising the Same, and Liquid-Crystal Element NISSAN CHEMICALS INDUSTRIES, LTD. (JP) 2007-09-27 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-20090012125-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 GRIN2D 2933/4885GRIN2A 3499/4885GRIN2B 2894/4885

“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.