SCHEMBL16623941

SCHEMBL16623941

O=Cc1ccc(Oc2ccc(Cl)c(CF)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP3 Q9Y6F1 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ CTSD P07339 1/20 0.34

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
SCHEMBL17302921 0.83 HTR2A (0.43) ALDH1A1POLBCASP6HTR2ASLC6A4
SCHEMBL17302913 0.83 PARP10 (0.42) ALDH1A1PARP10PARP3POLBCASP6
SCHEMBL31287758 0.80 ALDH1A1 (0.61) ALDH1A1PARP10PARP3POLBCASP6
SCHEMBL894981 0.80 ALDH1A1 (0.61) ALDH1A1PARP10PARP3POLBCASP6
SCHEMBL14661923 0.79 POLB (0.50) ALDH1A1PARP10PARP3POLBCASP6
SCHEMBL15278050 0.79 KDM4E (0.36) KDM4EHTR2ASLC6A4KCNH2
SCHEMBL8549986 0.77 ALDH1A1 (0.47) ALDH1A1PARP10PARP3POLBCASP6
SCHEMBL15278039 0.76 ST14 (0.55) CTSDBACE1SOS1
SCHEMBL14656250 0.76 SOS1 (0.58) ALDH1A1PARP10PARP3POLBCASP6
SCHEMBL9107585 0.76 KMT2A (0.47) ALDH1A1PARP10PARP3POLBCASP6

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 2 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

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-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 2042/4885PARP10 943/4885PARP3 1646/4885

“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.

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