SCHEMBL6862439

SCHEMBL6862439

O=C(Cc1c(F)cc(F)cc1F)Cc1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.43
CES1 P23141 6/20 0.43
RIPK1 Q13546 2/20 0.41
ERN1 O75460 1/20 0.40
CNR1 P21554 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GPR17 Q13304 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
SPR P35270 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL16681872 0.87 RIPK1 (0.44) CES2CES1RIPK1ERN1CNR1
SCHEMBL153965 0.83 CES2 (0.41) CES2CES1RIPK1ERN1CNR1
SCHEMBL1884539 0.81 CES2 (0.40) CES2CES1RIPK1ERN1CNR1
SCHEMBL1560230 0.81 RIPK1 (0.42) CES2CES1RIPK1ERN1CNR1
SCHEMBL2566904 0.81 CES2 (0.40) CES2CES1RIPK1ERN1CNR1
SCHEMBL6863804 0.76 CA1 (0.41) CES2CES1TAAR1
SCHEMBL155393 0.76 HSP90AB1 (0.46) CES2CES1RIPK1ALDH1A1
SCHEMBL15160747 0.76 RIPK1 (0.39) CES2CES1RIPK1ERN1CNR1
SCHEMBL16965477 0.76 RIPK1 (0.46) CES2CES1RIPK1ERN1CNR1
SCHEMBL18698662 0.76 RIPK1 (0.46) CES2CES1RIPK1ERN1CNR1

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 984/4885RIPK1 1350/4885

“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.