SCHEMBL9900818

SCHEMBL9900818

FC(F)(F)c1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
MAPK14 Q16539 1/20 0.47
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
KIF11 P52732 1/20 0.46
MAOB P27338 4/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
TTBK1 Q5TCY1 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
IDO1 P14902 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL32402331 1.00 LTA4H (0.52) LTA4HMAPK14TLR8TLR7KIF11
SCHEMBL27579381 0.86 LTA4H (0.59) LTA4HMAPK14TLR8TLR7KIF11
SCHEMBL921317 0.85 MAOB (0.61) LTA4HMAPK14KIF11MAOBALDH1A1
Hydrochloric Acid SCHEMBL17136566 0.84 MAOB (0.64) LTA4HMAPK14KIF11MAOBTTBK1
SCHEMBL1011040 0.84 FDFT1 (0.49) LTA4HMAPK14MAOBPPARGPPARA
SCHEMBL10737764 0.84 LTA4H (0.52) LTA4HMAPK14TLR8TLR7KIF11
SCHEMBL12603801 0.84 LTA4H (0.52) LTA4HMAPK14TLR8TLR7KIF11
SCHEMBL875576 0.84 LTA4H (0.58) LTA4HMAPK14TLR8TLR7KIF11
SCHEMBL1451649 0.83 MAPK14 (0.48) LTA4HMAPK14MAOBALDH1A1IDO1
SCHEMBL8549352 0.82 ALDH1A1 (0.54) LTA4HMAOBALDH1A1POLB

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 LTA4H 14/4885MAPK14 1525/4885TLR8 2951/4885

“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.