SCHEMBL6865708

SCHEMBL6865708

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
RXRA P19793 4/20 0.50
RXRB P28702 4/20 0.50
RXRG P48443 4/20 0.50
TACR1 P25103 7/20 0.49
IDO1 P14902 2/20 0.47
MTOR P42345 1/20 0.45
MLYCD O95822 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
ACP1 P24666 1/20 0.41

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
SCHEMBL15228991 0.88 CES2 (0.45) CES2RXRARXRBRXRGTACR1
SCHEMBL504122 0.84 RXRA (0.68) CES2RXRARXRBRXRGTACR1
SCHEMBL3329702 0.83 CES2 (0.48) CES2RXRARXRBRXRGTACR1
SCHEMBL6492340 0.83 IDO1 (0.48) CES2RXRARXRBRXRGTACR1
SCHEMBL2484345 0.83 IDO1 (0.48) CES2RXRARXRBRXRGTACR1
SCHEMBL5462785 0.83 CES2 (0.48) CES2RXRARXRBRXRGTACR1
SCHEMBL20560505 0.81 IDO1 (0.47) CES2RXRARXRBRXRGTACR1
Hydrochloric Acid SCHEMBL3152131 0.81 IDO1 (0.50) CES2RXRARXRBRXRGTACR1
Hydrochloric Acid SCHEMBL3143821 0.81 IDO1 (0.50) CES2RXRARXRBRXRGTACR1
SCHEMBL30628796 0.81 CES2 (0.57) CES2RXRARXRBRXRGTACR1

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 CES2 2291/4885RXRA 3337/4885RXRB 3795/4885

“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.