SCHEMBL4122696

SCHEMBL4122696

COc1cccc(C(=O)c2cc(Cl)ccc2-n2cccc2/C=C/C(=O)O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.37
HPGD P15428 1/20 0.37
HTR2C P28335 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4122700 1.00 NFE2L2 (0.38) NFE2L2GAAKDM4EALDH1A1HTR1A
SCHEMBL4132499 0.92 HCRTR2 (0.34)
SCHEMBL4132493 0.92 HCRTR2 (0.34)
SCHEMBL4128966 0.92 GAA (0.41) GAAKDM4E
SCHEMBL4128969 0.92 GAA (0.41) GAAKDM4E
SCHEMBL13775239 0.91 NFE2L2 (0.38) NFE2L2GAAKDM4EALDH1A1
SCHEMBL4121864 0.91 GAA (0.37) GAAKDM4E
SCHEMBL4121868 0.91 GAA (0.37) GAAKDM4E
SCHEMBL4123934 0.88 GAA (0.51) GAAKDM4EALDH1A1
SCHEMBL4110749 0.87 GAA (0.39) GAA

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR NFE2L2 2491/4885GAA 922/4885KDM4E 2123/4885

“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.