SCHEMBL9106789

SCHEMBL9106789

[CH2]Cc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
EPHX2 P34913 2/20 0.46
SOS1 Q07889 1/20 0.44
HSPB1 P04792 1/20 0.44
MAOB P27338 6/20 0.42
APP P05067 1/20 0.42
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ST14 Q9Y5Y6 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
SCN4A P35499 1/20 0.39

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
SCHEMBL131868 0.85
SCHEMBL27493237 0.83 IDO1 (0.50) MAOBIDO1AGXTLOXL2
SCHEMBL7386173 0.83 LTA4H (0.51) LTA4HEPHX2SOS1HSPB1MAOB
SCHEMBL351854 0.80 SOS1 (0.58) LTA4HEPHX2SOS1HSPB1SCN4A
SCHEMBL6290683 0.80 SOS1 (0.58) LTA4HEPHX2SOS1HSPB1SCN4A
SCHEMBL6289867 0.80 SOS1 (0.58) LTA4HEPHX2SOS1HSPB1SCN4A
SCHEMBL28297211 0.79 LTA4H (0.61) LTA4HMAOA
SCHEMBL694932 0.79 LTA4H (0.61) LTA4HMAOA
SCHEMBL145806 0.78 MAOB (0.52) MAOBIDO1AGXTLOXL2
SCHEMBL5540625 0.78 HSPB1 (0.48) LTA4HEPHX2SOS1HSPB1SCN4A

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
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
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-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP 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
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO 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 (4 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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LTA4H 15/4885EPHX2 288/4885SOS1 4204/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 LTA4H 15/4885EPHX2 288/4885SOS1 4204/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LTA4H 14/4885EPHX2 425/4885SOS1 3673/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B LTA4H 18/4885EPHX2 419/4885SOS1 3724/4885

“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.