SCHEMBL9904669

SCHEMBL9904669

Fc1cnc(OCc2ccccc2)nc1OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
MAOB P27338 3/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 5/20 0.40
TSHR P16473 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 1/20 0.40
AR P10275 1/20 0.38
MPO P05164 1/20 0.38
CYP2C9 P11712 3/20 0.38
USP2 O75604 1/20 0.38
PIN1 Q13526 2/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 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
SCHEMBL9901300 0.89 ALDH1A1 (0.48) CYP11B1CYP11B2MAOBALDH1A1CYP1A2
SCHEMBL9904793 0.88 LIPE (0.51) CYP2C19CYP3A4MAPK1CYP2C9LMNA
SCHEMBL9900791 0.86 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRCYP2C19CYP3A4
SCHEMBL9900964 0.85 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRCYP2C19CYP3A4
SCHEMBL9901124 0.84 ABCB1 (0.46) ALDH1A1CYP1A2TSHRCYP2C19CYP3A4
SCHEMBL9904811 0.84 LIPE (0.42) CYP11B1CYP11B2CYP19A1TSHRMAPK1
SCHEMBL9901038 0.82 ALDH1A1 (0.36) MAOBALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL15262818 0.82 GPR84 (0.40) ALDH1A1CYP1A2TSHRCYP2C19CYP3A4
SCHEMBL11604390 0.81 PIN1 (0.47) ALDH1A1CYP1A2TSHRCYP2C19CYP3A4
SCHEMBL9904977 0.80 PLA2G7 (0.46) ALDH1A1CYP1A2TSHRCYP2C19CYP3A4

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 CYP11B1 1315/4885CYP11B2 1476/4885CYP19A1 1895/4885

“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.