SCHEMBL14342575

SCHEMBL14342575

Cc1cc(/C=C/c2ccc(O)cc2)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.67
▸ MAOB P27338 3/20 0.49
▸ MAOA P21397 2/20 0.49
▸ APP P05067 7/20 0.47
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NQO2 P16083 3/20 0.47
▸ ALOX5 P09917 3/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA3 P07451 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA13 Q8N1Q1 2/20 0.47

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
SCHEMBL5527097 0.76 PTGS2 (0.68) PTGS2MAOBMAOAAPPMAPT
SCHEMBL5527093 0.76 PTGS2 (0.68) PTGS2MAOBMAOAAPPMAPT
SCHEMBL1793302 0.75 PTGS2 (0.87) PTGS2MAOBAPPMAPTKDM4E
SCHEMBL14342572 0.75 PTGS2 (0.87) PTGS2MAOBAPPMAPTKDM4E
SCHEMBL1793303 0.75 PTGS2 (0.87) PTGS2MAOBAPPMAPTKDM4E
SCHEMBL1793300 0.75 PTGS2 (0.87) PTGS2MAOBAPPMAPTKDM4E
SCHEMBL1791048 0.73 PTGS2 (0.59) PTGS2APPMAPTKDM4EMEN1
SCHEMBL1791052 0.73 PTGS2 (0.59) PTGS2APPMAPTKDM4EMEN1
SCHEMBL14342645 0.73 NPC1 (0.77) PTGS2MAOBMAOAAPPMAPT
SCHEMBL1790099 0.72 PTGS2 (0.58) PTGS2MAOBMAOAAPPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 — — US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 — — 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 (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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 PTGS2 768/4885MAOB 1809/4885MAOA 2701/4885

“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.

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