SCHEMBL9889451

SCHEMBL9889451

CCOC(=O)/C(=C/O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
GLO1 Q04760 1/20 0.45
SOAT1 P35610 1/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CYP2C9 P11712 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPT P10636 3/20 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
SCHEMBL6044972 1.00 NPSR1 (0.45) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL12317093 1.00 NPSR1 (0.45) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL22472115 0.84 NPSR1 (0.43) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL7601504 0.83 NPSR1 (0.46) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL7600152 0.83 NPSR1 (0.46) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL23094584 0.80 GAA (0.56) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL8321920 0.80 GAA (0.56) NPSR1GLO1ALDH1A1LMNAHSD17B10
SCHEMBL8009911 0.80 NPSR1 (0.41) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL3356854 0.79 NPSR1 (0.43) NPSR1GLO1SOAT1ALDH1A1LMNA
SCHEMBL5144385 0.79 NPSR1 (0.43) NPSR1GLO1SOAT1ALDH1A1LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103347864-B Pyrimidone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA 2 葛兰素集团有限公司 2016-08-10 CN disclosed
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-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-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
CN-104478812-A Pyrimidone compound for treating Lp-PLA2-mediated diseases or illness GLAXO GROUP LTD 2015-04-01 CN 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
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
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
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
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 NPSR1 2794/4885GLO1 1086/4885SOAT1 389/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B NPSR1 2457/4885GLO1 1022/4885SOAT1 1114/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B NPSR1 2415/4885GLO1 1036/4885SOAT1 1160/4885

“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.