SCHEMBL15537320

SCHEMBL15537320

CC(C)c1cc(C(O)C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.44
PTGER1 P34995 1/20 0.44
GLRA1 P23415 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
LIPE Q05469 1/20 0.38
CCR5 P51681 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL16785955 0.85 GLRA1 (0.47) GLRA1LIPECCR5MAPK1ALDH1A1
SCHEMBL15539512 0.84 GLRA1 (0.56) TBXA2RPTGER1GLRA1MAPK1ALDH1A1
SCHEMBL12889910 0.83 GLRA1 (0.50) GLRA1MRGPRX4LIPECCR5MAPK1
SCHEMBL15729686 0.83 MRGPRX4 (0.52) TBXA2RPTGER1MRGPRX4
SCHEMBL4455681 0.82 NPC1 (0.50) TBXA2RPTGER1MRGPRX4RAB9A
SCHEMBL15538392 0.81 AR (0.40) LMNAL3MBTL1ACSS2
SCHEMBL15537162 0.79 GLRA1 (0.48) TBXA2RPTGER1GLRA1MAPK1ALDH1A1
SCHEMBL24781012 0.79 HTR2C (0.53) PTGER1MRGPRX4FFAR4
SCHEMBL15540035 0.78 ADRA2A (0.43) MAPK1ALDH1A1TSHRL3MBTL1
SCHEMBL8800593 0.78 GLRA1 (0.50) GLRA1LIPECCR5MAPK1ALDH1A1

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 TBXA2R 480/4885PTGER1 511/4885GLRA1 836/4885

“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.