SCHEMBL9901038

SCHEMBL9901038

Fc1cnc(OCc2ccccc2)nc1OCCc1ccc(Oc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
TSHR P16473 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP13 P45452 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CYP2C9 P11712 2/20 0.34
PLAAT3 P53816 2/20 0.34
PLAAT5 Q96KN8 2/20 0.34
PLAAT2 Q9NWW9 2/20 0.34
PLAAT4 Q9UL19 2/20 0.34
LIPE Q05469 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL9904719 0.87 FFAR1 (0.42) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL9904793 0.85 LIPE (0.51) CYP2C19CYP3A4MAPK1CYP2C9PLAAT3
SCHEMBL9900964 0.85 ALDH1A1 (0.43) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL15277252 0.83 BACE1 (0.35) LOXLOXL2PLAAT3PLAAT5PLAAT2
SCHEMBL9900916 0.83 POLB (0.41) CYP1A2LOXLOXL2CYP2C9PLAAT3
SCHEMBL9900791 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL9904669 0.82 CYP11B1 (0.43) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL9901300 0.80 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL9904977 0.80 PLA2G7 (0.46) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19
SCHEMBL9901124 0.80 ABCB1 (0.46) ALDH1A1CYP1A2TSHRCYP2D6CYP2C19

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 9 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
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 ALDH1A1 3180/4885CYP1A2 3522/4885TSHR 4832/4885

“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.