SCHEMBL9889487

SCHEMBL9889487

Cc1cccc(Oc2ccc(CCl)cc2C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.47
TTR P02766 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPAS1 Q99814 1/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL9889486 0.86 AR (0.48) ARTTRL3MBTL1ALDH1A1GAA
SCHEMBL9109611 0.85 TTR (0.43) TTRL3MBTL1ALDH1A1EPAS1MAPT
SCHEMBL10875160 0.79 TTR (0.49) ARTTRL3MBTL1ALDH1A1GAA
SCHEMBL8306595 0.78 ALDH1A1 (0.58) ARL3MBTL1ALDH1A1GAACYP1A2
SCHEMBL9889485 0.76 AR (0.47) ARTTRL3MBTL1ALDH1A1GAA
SCHEMBL9889482 0.76 AR (0.56) ARTTRL3MBTL1ALDH1A1GAA
SCHEMBL10991199 0.75 AR (0.58) ARL3MBTL1ALDH1A1GAAHPGD
SCHEMBL32670377 0.75 ALDH1A1 (0.61) ARTTRL3MBTL1ALDH1A1GAA
SCHEMBL9502686 0.75 ALDH1A1 (0.61) ARTTRL3MBTL1ALDH1A1GAA
SCHEMBL31435397 0.75 TTR (0.49) ARTTRALDH1A1HTR2C

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-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 AR 4068/4885TTR 2049/4885L3MBTL1 3548/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3287/4885TTR 1087/4885L3MBTL1 3264/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3324/4885TTR 1102/4885L3MBTL1 3358/4885

“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.