SCHEMBL6865758

SCHEMBL6865758

O=C(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 1/20 0.62
ACP3 P15309 1/20 0.59
TAAR1 Q96RJ0 1/20 0.55
EPHX1 P07099 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
SMYD3 Q9H7B4 1/20 0.54
CES2 O00748 1/20 0.53
IDO1 P14902 2/20 0.53
HTT P42858 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL10900761 0.95 MEN1 (0.66) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL30235602 0.95 MEN1 (0.66) MEN1KMT2AMAPTACP3EPHX1
SCHEMBL11625821 0.90 MEN1 (0.54) MEN1KMT2AMAPTACP3TAAR1
SCHEMBL1295378 0.90 MEN1 (0.56) MEN1KMT2AMAPTACP3TAAR1
SCHEMBL8232750 0.90 MEN1 (0.56) MEN1KMT2AMAPTACP3TAAR1
SCHEMBL6929122 0.90 TAAR1 (0.57) MEN1KMT2AMAPTACP3TAAR1
SCHEMBL2407518 0.90 MEN1 (0.56) MEN1KMT2AMAPTACP3TAAR1
SCHEMBL11180659 0.89 LMNA (0.56) MEN1KMT2AMAPTACP3HDAC1
Hydrochloric Acid SCHEMBL1295331 0.88 TAAR1 (0.56) MEN1KMT2AMAPTACP3TAAR1
SCHEMBL29213956 0.88 MEN1 (0.62) MEN1KMT2AMAPTACP3HDAC1

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 MEN1 2297/4885KMT2A 1866/4885MAPT 1173/4885

“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.