SCHEMBL6864288

SCHEMBL6864288

O=C(Cc1ccc(F)c(F)c1)Cc1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPK8 P45983 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
RIPK1 Q13546 1/20 0.44
KCNQ2 O43526 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
PIK3CA P42336 1/20 0.40
DAO P14920 1/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28501277 0.88 MAPK8 (0.42) CES2CES1MAPK8MAOAMAOB
SCHEMBL23869535 0.88 RIPK1 (0.46) CES2CES1MAPK8MAOAMAOB
SCHEMBL12731507 0.88 MAPK8 (0.42) CES2CES1MAPK8MAOAMAOB
SCHEMBL31048201 0.86 MAPK8 (0.44) CES2CES1MAPK8MAOAMAOB
Hydrochloric Acid SCHEMBL1221724 0.86 MAPK8 (0.44) CES2CES1MAPK8MAOAMAOB
SCHEMBL154429 0.84 KDM4E (0.55) CES2CES1MAPK8MAOAMAOB
SCHEMBL28185952 0.83 MAOA (0.41) CES2CES1MAPK8MAOAMAOB
SCHEMBL1115081 0.83 CA2 (0.52) CES2CES1MAPK8MAOAMAOB
SCHEMBL1699590 0.83 MAOA (0.50) CES2CES1MAPK8MAOAMAOB
SCHEMBL4685450 0.83 MAPK8 (0.44) CES2CES1MAPK8MAOAMAOB

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 984/4885MAPK8 798/4885

“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.