SCHEMBL6865893

SCHEMBL6865893

O=CCc1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
DAO P14920 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
IDO1 P14902 2/20 0.31
CES2 O00748 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
SCHEMBL6862960 0.81 KIF11 (0.33) KIF11
SCHEMBL6858263 0.78 RXRA (0.47) KIF11DAORXRARXRBRXRG
SCHEMBL6866203 0.78 KIF11 (0.32) KIF11
SCHEMBL6863887 0.78 KIF11 (0.32) KIF11
SCHEMBL6864260 0.75 CES2 (0.33) KIF11DAOCES2
SCHEMBL250310 0.74 PTPN7 (0.47) KIF11DAO
SCHEMBL30486158 0.74 PTPN7 (0.47) KIF11DAO
SCHEMBL5251030 0.73 IDO1 (0.32) IDO1
SCHEMBL816314 0.73 IDO1 (0.32) IDO1
SCHEMBL1295656 0.73 IDO1 (0.48) DAORXRARXRBRXRGIDO1

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 KIF11 1516/4885DAO 352/4885RXRA 3337/4885

“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.