SCHEMBL9889484

SCHEMBL9889484

COc1cc(CO)ccc1Oc1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.58
TTR P02766 4/20 0.52
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
ACHE P22303 2/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL15096339 0.85 TTR (0.51) ARTTRACHEALDH1A1GAA
SCHEMBL8429041 0.84 TTR (0.71) ARTTRALDH1A1L3MBTL1NPC1
SCHEMBL21328332 0.83 AR (0.54) ARTTRALDH1A1NPC1POLB
SCHEMBL27232559 0.83 AR (0.55) ARTTRACHEALDH1A1GAA
SCHEMBL14667751 0.82 TTR (0.49) ARTTRACHEALDH1A1GAA
SCHEMBL875489 0.81 AR (0.53) ARTTRL3MBTL1KMT2ATDP1
SCHEMBL15170032 0.81 TTR (0.61) TTRACHEALDH1A1NPC1POLB
SCHEMBL30979256 0.79 ALDH1A1 (0.53) ARACHEALDH1A1GAAL3MBTL1
SCHEMBL1747441 0.79 ALDH1A1 (0.53) ARACHEALDH1A1GAAL3MBTL1
SCHEMBL9889486 0.79 AR (0.48) ARTTRALDH1A1GAAL3MBTL1

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
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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 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-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 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 (5 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 AR 4068/4885TTR 2049/4885ADRB2 2036/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885TTR 913/4885ADRB2 2149/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3287/4885TTR 1087/4885ADRB2 1980/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B AR 3324/4885TTR 1102/4885ADRB2 1877/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 AR 3517/4885TTR 913/4885ADRB2 2149/4885

“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.