SCHEMBL6858263

SCHEMBL6858263

O=CCc1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
DAO P14920 4/20 0.46
KIF11 P52732 3/20 0.38
IDO1 P14902 2/20 0.38
PYCR1 P32322 1/20 0.35
CES2 O00748 1/20 0.34
PTPN7 P35236 3/20 0.33
DUSP3 P51452 3/20 0.33
NOTUM Q6P988 2/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL250310 0.86 PTPN7 (0.47) DAOKIF11PTPN7DUSP3AR
SCHEMBL30486158 0.86 PTPN7 (0.47) DAOKIF11PTPN7DUSP3AR
SCHEMBL12106845 0.84 DAO (0.39) RXRARXRBRXRGDAOKIF11
SCHEMBL4084168 0.84 IDO1 (0.57) IDO1PYCR1
SCHEMBL7861160 0.84 MAPT (0.39) RXRARXRBRXRGDAOKIF11
SCHEMBL3637724 0.83 KIF11 (0.51) RXRARXRBRXRGDAOKIF11
SCHEMBL5722020 0.82 DAO (0.50) RXRARXRBRXRGDAOKIF11
SCHEMBL4593166 0.82 DAO (0.50) RXRARXRBRXRGDAOKIF11
SCHEMBL6745234 0.80 RXRA (0.49) RXRARXRBRXRGDAOKIF11
SCHEMBL28084058 0.80 RXRA (0.54) RXRARXRBRXRGAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797842-B2 BY ASYMMETRICALLY REDUCING AN OPTICALLY ACTIVE IMINE, USING A HYDRIDE REDUCING AGENT TO CONVERT TO AN OPTICALLY ACTIVE SECONDARY AMINE, WHICH THEN UNDERGOES HYDROGENOLYSIS; HIGH OPTICAL PURITY, SIMPLE, EFFICIENT CENTRAL GLASS COMPANY, LIMITED (JP) 2004-09-28 US disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 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-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 RXRA 3337/4885RXRB 3795/4885RXRG 3695/4885

“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.