SCHEMBL9107961

SCHEMBL9107961

Cn1cc(C/C(=C/O)C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ERCC5 P28715 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
JAK2 O60674 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
SCHEMBL9107974 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL15262697 0.83 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL9107401 0.83 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL4418840 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL9107405 0.83 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL5867374 0.83 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL4360008 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL19808057 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL15262758 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1
SCHEMBL15262756 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAATSHRL3MBTL1

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
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
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 (3 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 ALDH1A1 3079/4885SMN1; SMN2 3782/4885GAA 557/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 ALDH1A1 3079/4885SMN1; SMN2 3782/4885GAA 557/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 2042/4885SMN1; SMN2 2782/4885GAA 694/4885

“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.