SCHEMBL6863585

SCHEMBL6863585

O=C(Cc1cc(F)c(F)c(F)c1)Cc1cc(F)c(F)c(F)c1.O=C(Cc1cc(F)c(F)cc1F)Cc1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
MAOB P27338 1/20 0.34
RIPK1 Q13546 1/20 0.34
DPP4 P27487 4/20 0.33
PSMB5 P28074 1/20 0.32
MMP2 P08253 2/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 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
SCHEMBL10054137 0.75 HDAC1 (0.38) HDAC1HDAC8RIPK1DPP4MMP2
SCHEMBL28185959 0.75 CES2 (0.41) CES2CES1CA1CA2CA4
SCHEMBL6864467 0.74 CES2 (0.39) HDAC1HDAC8CES2CES1CA1
SCHEMBL31414230 0.74 CES2 (0.44) HDAC1HDAC8CES2CES1CA1
Hydrochloric Acid SCHEMBL2891975 0.73 HDAC1 (0.37) HDAC1HDAC8DPP4MMP2MMP1
SCHEMBL29850417 0.73 HDAC1 (0.41) HDAC1HDAC8DPP4MMP2MMP1
SCHEMBL3964088 0.73 HDAC1 (0.41) HDAC1HDAC8DPP4MMP2MMP1
SCHEMBL28432897 0.72 HDAC1 (0.36) HDAC1HDAC8DPP4MMP2MMP1
SCHEMBL12187861 0.72 HDAC1 (0.40) HDAC1HDAC8MAOBDPP4MMP2
SCHEMBL28181253 0.72 HDAC1 (0.40) HDAC1HDAC8DPP4MMP2MMP1

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 HDAC1 883/4885HDAC8 1039/4885CES2 2291/4885

“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.