SCHEMBL6864466

SCHEMBL6864466

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
VNN1 O95497 1/20 0.49
SLC1A1 P43005 2/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
MAPK8 P45983 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
SRC P12931 1/20 0.47
NR4A2 P43354 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL11178482 0.94 SRC (0.55) VNN1SLC1A1CES2CES1RAB9A
SCHEMBL8053109 0.90 VNN1 (0.49) TAAR1VNN1SLC1A1IDO1AGXT
SCHEMBL3371173 0.88 VNN1 (0.45) TAAR1VNN1SLC1A1IDO1AGXT
SCHEMBL8498964 0.88 VNN1 (0.48) TAAR1VNN1SLC1A1RAB9ACASP3
SCHEMBL2999227 0.88 VNN1 (0.48) TAAR1VNN1SLC1A1RAB9ACASP3
SCHEMBL27814786 0.87 FFAR1 (0.49) VNN1SLC1A1RAB9AMAPK8MEN1
Hydrochloric Acid SCHEMBL1150988 0.87 TAAR1 (0.52) TAAR1VNN1SLC1A1IDO1AGXT
SCHEMBL11080103 0.85 VNN1 (0.52) TAAR1VNN1SLC1A1CASP3CASP7
SCHEMBL2209416 0.85 VNN1 (0.49) TAAR1VNN1RAB9AMAPK8MEN1
SCHEMBL22327488 0.85 MAPK8 (0.51) TAAR1VNN1SLC1A1IDO1AGXT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041182-A A kind of 1,3- bis- replaces the preparation method of halogen phenylacetone 玉林师范学院 2019-07-23 CN disclosed
CN-110002975-A The preparation method and application of the substitution halogen phenylacetone of 1,3- bis- 玉林师范学院 2019-07-12 CN disclosed
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
US-4102669-A IN COTTON CULTURE ELI LILLY AND COMPANY (US) 1978-07-25 US disclosed
US-4065290-A Herbicidal β-phenyl-4-piperidinones ELI LILLY AND COMPANY (US) 1977-12-27 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 TAAR1 2742/4885VNN1 2486/4885SLC1A1 3617/4885

“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.