SCHEMBL9889449

SCHEMBL9889449

Cc1cccc(Oc2ccc(CCO)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
FFAR1 O14842 4/20 0.54
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
LTA4H P09960 2/20 0.46
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
AR P10275 1/20 0.43
SLC5A2 P31639 1/20 0.43
EPHX2 P34913 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 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
SCHEMBL14159532 0.90 ALDH1A1 (0.65) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL260490 0.86 LTA4H (0.63) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL22277900 0.85 ALDH1A1 (0.59) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL17984374 0.84 LTA4H (0.60) ALDH1A1FFAR1HTTTDP1LTA4H
Ethylene Glycol SCHEMBL5862906 0.84 ALDH1A1 (0.60) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL9889554 0.83 ALDH1A1 (0.67) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL10013918 0.82 ALDH1A1 (0.65) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL9889501 0.82 EPHX2 (0.49) ALDH1A1FFAR1TDP1LTA4HEPHX2
SCHEMBL14159539 0.82 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1HSD17B1
SCHEMBL10013917 0.82 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 ALDH1A1 3079/4885FFAR1 386/4885HTT 1840/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 1976/4885FFAR1 514/4885HTT 2025/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B ALDH1A1 2042/4885FFAR1 508/4885HTT 2081/4885

“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.