SCHEMBL6858299

SCHEMBL6858299

O=C(Cc1c(F)c(F)cc(F)c1F)Cc1c(F)c(F)cc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 2/20 0.44
CES2 O00748 5/20 0.42
CES1 P23141 5/20 0.42
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
MAPT P10636 2/20 0.32
CA9 Q16790 1/20 0.30
RIPK1 Q13546 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
MAOB P27338 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6863804 0.86 CA1 (0.41) CA1CA2CA4CES2CES1
SCHEMBL11269548 0.83 CA1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL27110079 0.81 CA1 (0.41) CA1CA2CA4CES2CES1
SCHEMBL28207133 0.81 CA2 (0.41) CA1CA2CA4CES2CES1
SCHEMBL9711186 0.81 CA1 (0.41) CA1CA2CA4CES2CES1
SCHEMBL3259561 0.78 TAS1R3 (0.36) MEN1KMT2A
SCHEMBL6866155 0.78 CES2 (0.43) CES2CES1
SCHEMBL6862439 0.75 CES2 (0.43) CES2CES1RIPK1
SCHEMBL9711188 0.73 CA1 (0.33) CA1CA2CA4CES2CES1
SCHEMBL28231870 0.73 KDM4E (0.50) CES1MAPTMEN1LMNAKMT2A

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 CA1 1997/4885CA2 543/4885CA4 1128/4885

“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.