SCHEMBL6862725

SCHEMBL6862725

O=C(Cc1cccc(C(F)(F)F)c1C(F)(F)F)Cc1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.43
PTGS2 P35354 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAOB P27338 2/20 0.38
IDO1 P14902 2/20 0.38
MAOA P21397 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
CMA1 P23946 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2429479 0.87 PTGS2 (0.54) POLQPTGS2HDAC1HDAC8POLB
SCHEMBL30428048 0.87 PTGS2 (0.54) POLQPTGS2HDAC1HDAC8POLB
SCHEMBL7000495 0.86 MAOB (0.42) POLQPTGS2HDAC1HDAC8MAOB
SCHEMBL6864363 0.82 POLQ (0.58) POLQPTGS2HDAC1HDAC8MAOB
SCHEMBL30368290 0.79 IDO1 (0.41) POLQPTGS2MAOBIDO1POLB
SCHEMBL21312967 0.79 GABRA1 (0.46) POLQMAOBIDO1MAOAPOLB
SCHEMBL542693 0.79 IDO1 (0.41) POLQPTGS2MAOBIDO1POLB
SCHEMBL6957784 0.76 IDO1 (0.39) POLQHDAC1HDAC8MAOBIDO1
SCHEMBL16709610 0.75 EPHX2 (0.44) MAOBEPHX2P2RX7
SCHEMBL11226715 0.75 ALDH1A1 (0.42) POLQPTGS2MAOBIDO1MAOA

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 POLQ 1835/4885PTGS2 4113/4885HDAC1 883/4885

“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.