SCHEMBL6865205

SCHEMBL6865205

O=C(Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)(F)F)Cc1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
CES2 O00748 2/20 0.36
DAO P14920 1/20 0.33
POLQ O75417 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CNR2 P34972 1/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NOTUM Q6P988 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
NFKB1 P19838 1/20 0.31
CES1 P23141 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
SCHEMBL6862955 0.82 RXRA (0.35) RXRARXRBRXRGCES2
SCHEMBL6863880 0.78 RXRA (0.33) RXRARXRBRXRGCES2
SCHEMBL30368414 0.77 KIF11 (0.39) RXRARXRBRXRGCES2KIF11
SCHEMBL21490256 0.77 KIF11 (0.39) RXRARXRBRXRGCES2KIF11
SCHEMBL5250406 0.76 TAAR1 (0.35)
SCHEMBL6865206 0.73 KIF11 (0.33) KIF11
SCHEMBL6862725 0.73 POLQ (0.43) POLQLMNAGAAALDH1A1NFKB1
SCHEMBL5248296 0.72 TAAR1 (0.30)
SCHEMBL5795608 0.69 POLB (0.36) CES2DAOGAAKIF11ALDH1A1
SCHEMBL6865891 0.69 RXRA (0.39) RXRARXRBRXRGCES2GAA

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.