SCHEMBL16186298

SCHEMBL16186298

Bc1ccc(OC)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.43
▸ AR P10275 5/20 0.42
▸ PGR P06401 2/20 0.42
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 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
SCHEMBL26444396 0.82 EPHX2 (0.44) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL4628852 0.81 EPHX2 (0.46) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL12422332 0.78 CA12 (0.56) EPHX2ARPGRCA12CA1
SCHEMBL756255 0.78 PTPN7 (0.50) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL29775423 0.78 PTPN7 (0.50) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL29775318 0.78 CA12 (0.56) EPHX2ARPGRCA12CA1
SCHEMBL2900162 0.78 EPHX2 (0.44) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL13066064 0.77 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL77088 0.76 FFAR4 (0.56) EPHX2ARPGRCYP11B1CYP11B2
SCHEMBL755578 0.76 ALDH1A1 (0.53) EPHX2ARPGRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB EPHX2 3129/4885AR 4143/4885PGR 4353/4885

“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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