SCHEMBL15538701

SCHEMBL15538701

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.34
RXRA P19793 2/20 0.34
PPARG P37231 2/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPT P10636 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL15539638 0.89 CA2 (0.33) RARGRXRAPPARGGABRA1POLB
SCHEMBL1795642 0.79 CA1 (0.50) GABRA1GABRB2GAAMAPT
SCHEMBL4775793 0.79 CA1 (0.50) GABRA1GABRB2GAAMAPT
SCHEMBL16785956 0.79 GABRA1 (0.38) RARGRXRAPPARGGABRA1GABRB2
SCHEMBL15540035 0.78 ADRA2A (0.43) PPARGPOLBGAAGFER
SCHEMBL15794454 0.78 TUBB1 (0.36) GABBR2GABBR1MAPK14
SCHEMBL14320994 0.76 ALDH1A1 (0.39) GAAMAPT
SCHEMBL14640958 0.76 GABRA1 (0.46) RARGRXRAPPARGGABRA1GABRB2
SCHEMBL15539512 0.75 GLRA1 (0.56) MAPT
SCHEMBL23436794 0.73 AKR1C3 (0.37) POLBGAAGFERMAPT

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 RARG 946/4885RXRA 322/4885PPARG 41/4885

“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.