SCHEMBL6864467

SCHEMBL6864467

O=C(Cc1cc(F)c(F)c(F)c1F)Cc1cc(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RIPK1 Q13546 2/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL28725225 0.84 CES2 (0.38) CES2CES1CA1CA2CA4
SCHEMBL30428405 0.84 CXCL8 (0.41) CES2CES1CA1CA2CA4
SCHEMBL7249684 0.84 CXCL8 (0.41) CES2CES1CA1CA2CA4
SCHEMBL11035311 0.81 CA1 (0.38) CES2CES1CA1CA2CA4
SCHEMBL6858266 0.80 RIPK1 (0.49) CES2CES1CA1CA2CA4
SCHEMBL2965654 0.78 CES2 (0.33) CES2CES1CA1CA2CA4
SCHEMBL6864273 0.77 CES2 (0.46) CES2CES1CA2RIPK1
SCHEMBL7253727 0.75 TDP1 (0.41)
SCHEMBL6863585 0.74 HDAC1 (0.39) CES2CES1CA1CA2CA4
SCHEMBL6634488 0.73 HDAC3 (0.39) CES2CES1CA1CA2CA4

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 2291/4885CES1 984/4885CA1 1997/4885

“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.