SCHEMBL15539638

SCHEMBL15539638

COc1c(Br)cc(C(O)C(F)(F)F)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
TPMT P51580 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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
SCHEMBL15538701 0.89 RARG (0.34) POLBGAAGFERRARGRXRA
SCHEMBL15539232 0.80 GABRA1 (0.44) CA2THRATHRBGAAHSD17B10
SCHEMBL15537162 0.78 GLRA1 (0.48) THRATHRBGAA
SCHEMBL1795642 0.73 CA1 (0.50) CA2GAAHSD17B10GABRA1GABRB1
SCHEMBL4775793 0.73 CA1 (0.50) CA2GAAHSD17B10GABRA1GABRB1
SCHEMBL15540035 0.72 ADRA2A (0.43) CA2THRBPOLBGAAGFER
SCHEMBL15794454 0.72 TUBB1 (0.36)
SCHEMBL14320994 0.70 ALDH1A1 (0.39) GAAHSD17B10TPMT
SCHEMBL5002754 0.69 CA2 (0.50) CA2CA4THRATHRBPOLB
SCHEMBL13711019 0.69

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-9422248-B2 Phenyl- and pyridinyl-substituted 2,2,2-trifluoroethanols having anticonvulsant properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-23 US claimed
US-20150158821-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-06-11 US claimed
WO-2013188716-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2013-12-19 WO claimed
US-9422248-B2 Phenyl- and pyridinyl-substituted 2,2,2-trifluoroethanols having anticonvulsant properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-23 US disclosed
US-9422248-B2 Phenyl- and pyridinyl-substituted 2,2,2-trifluoroethanols having anticonvulsant properties UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-08-23 US disclosed
US-20150158821-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-06-11 US disclosed
US-20150158821-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES UNIVERSITY OF IOWA RESEARCH FOUNDATION 2015-06-11 US disclosed
WO-2013188716-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2013-12-19 WO 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-20150158821-A1 SUBSTITUTED PHENOLS HAVING ANTICONVULSANT PROPERTIES PNMT, COMT, GABRE CA2 710/4885CA4 988/4885THRA 2573/4885

“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.