SCHEMBL9900905

SCHEMBL9900905

Fc1cnc(Cl)nc1OCCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.51
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
LTA4H P09960 4/20 0.42
EPHX2 P34913 2/20 0.42
PPARG P37231 1/20 0.41
FFAR1 O14842 2/20 0.38
PLA2G2A P14555 1/20 0.38
FNTA P49354 1/20 0.38
PGGT1B P53609 1/20 0.38
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL9900937 0.85 PIN1 (0.49) PIN1POLBCASP6
SCHEMBL9900759 0.85 PPARG (0.43) LTA4HEPHX2PPARGFFAR1PLA2G2A
SCHEMBL9901204 0.84 POLB (0.45) PIN1POLBCASP6
SCHEMBL15262296 0.83 POLB (0.43) PIN1POLBCASP6FFAR1
SCHEMBL9901818 0.82 POLB (0.43) PIN1POLBCASP6PPARG
SCHEMBL9905581 0.82 PLA2G7 (0.52) PIN1POLBCASP6
SCHEMBL9900964 0.81 ALDH1A1 (0.43) PIN1LTA4HEPHX2PPARGFFAR1
SCHEMBL9900916 0.81 POLB (0.41) PIN1POLBCASP6
SCHEMBL9900949 0.79 THRB (0.44) POLBCASP6
SCHEMBL9901720 0.79 PIN1 (0.44) PIN1POLBCASP6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B PIN1 1366/4885POLB 2258/4885CASP6 1331/4885

“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.