SCHEMBL2893972

SCHEMBL2893972

CC(C)(C)Oc1ccc(C=Cc2ccn(-c3ccc(O)cc3)c(=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.40
CYP1A1 P04798 4/20 0.40
CYP1B1 Q16678 4/20 0.40
TTR P02766 3/20 0.40
ALOX5 P09917 3/20 0.40
MCHR1 Q99705 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
PTGS1 P23219 3/20 0.38
NQO2 P16083 3/20 0.38
NPC1 O15118 2/20 0.38
ABL1 P00519 2/20 0.38
ABCB1 P08183 2/20 0.38
GAA P10253 2/20 0.38
BCR P11274 2/20 0.38
RAB9A P51151 2/20 0.38
GFER P55789 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL2893969 1.00 PTGS2 (0.40) PTGS2CYP1A1CYP1B1TTRALOX5
SCHEMBL2893975 0.80 CHRNB2 (0.41) MCHR1NPC1MAPK1TP53CYP3A4
SCHEMBL2890476 0.79 MCHR1 (0.55) MCHR1KDM4EMAOBMAOAAPP
SCHEMBL2890481 0.79 MCHR1 (0.55) MCHR1KDM4EMAOBMAOAAPP
SCHEMBL2893455 0.78 PDE4B (0.39) MCHR1MEN1KMT2A
SCHEMBL2893456 0.78 PDE4B (0.39) MCHR1MEN1KMT2A
SCHEMBL2891931 0.75 MCHR1 (0.58) MCHR1MAOBAPPLTA4H
SCHEMBL2891930 0.75 MCHR1 (0.58) MCHR1MAOBAPPLTA4H
SCHEMBL15369115 0.73 PTGS1 (0.65) PTGS2CYP1A1CYP1B1TTRALOX5
SCHEMBL3329743 0.73 APP (0.57) PTGS2CYP1A1CYP1B1TTRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 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 (1 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR PTGS2 2140/4885CYP1A1 153/4885CYP1B1 224/4885

“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.