SCHEMBL15538546

SCHEMBL15538546

CCC(C)c1cc(C(O)C(F)(F)F)cc(Br)c1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
TSHR P16473 1/20 0.34
ADRB2 P07550 2/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C19 P33261 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
SCHEMBL15539232 0.84 GABRA1 (0.44) TSHRADRB2ALDH1A1GAAHPGD
SCHEMBL15558445 0.77 RORC (0.53) RORCTSHRADRB2USP2ALDH1A1
SCHEMBL16788668 0.77 CYP2C19 (0.35) TSHRADRB2ALDH1A1HPGDALOX15
SCHEMBL15538671 0.75 HMGCR (0.33) TSHRADRB2ALDH1A1HPGDALOX15
SCHEMBL16788662 0.74 CYP3A4 (0.34) TSHRADRB2ALDH1A1HPGDALOX15
SCHEMBL7068142 0.74 GABRA1 (0.50) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL1795642 0.72 CA1 (0.50) TSHRUSP2ALDH1A1GAAHPGD
SCHEMBL4775793 0.72 CA1 (0.50) TSHRUSP2ALDH1A1GAAHPGD
SCHEMBL13920802 0.71 ALDH1A1 (0.44) RORCTSHRUSP2ALDH1A1GAA
SCHEMBL21487350 0.71 ADRB2 (0.33) TSHRADRB2ALDH1A1HPGDALOX15

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 6 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-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 RORC 335/4885TSHR 3125/4885ADRB2 384/4885

“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.