SCHEMBL6666485

SCHEMBL6666485

O=C(Cc1cccc(F)c1F)Cc1cccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
BCHE P06276 1/20 0.48
RIPK1 Q13546 1/20 0.45
CXCL8 P10145 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38
C3AR1 Q16581 1/20 0.38
DPP4 P27487 1/20 0.38
MAPK1 P28482 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL8388641 0.88 RIPK1 (0.48) CES2CES1BCHERIPK1CXCL8
SCHEMBL14402655 0.85 RIPK1 (0.46) CES2CES1BCHERIPK1MEN1
SCHEMBL6967661 0.85 CES2 (0.47) CES2CES1BCHERIPK1CXCL8
SCHEMBL723768 0.85 CXCL8 (0.56) CES2CES1BCHERIPK1CXCL8
SCHEMBL11205828 0.83 RIPK1 (0.46) CES2CES1BCHERIPK1CXCL8
SCHEMBL4599084 0.83 CES2 (0.45) CES2CES1BCHERIPK1CXCL8
SCHEMBL29718813 0.83 CES2 (0.45) CES2CES1BCHERIPK1CXCL8
SCHEMBL1142802 0.83 CES2 (0.45) CES2CES1BCHERIPK1CXCL8
SCHEMBL6301587 0.83 CES2 (0.45) CES2CES1BCHERIPK1CXCL8
SCHEMBL28134586 0.83 CXCL8 (0.54) CES2CES1BCHERIPK1CXCL8

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 3 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
WO-2004020439-A2 IMPROVED PROCESS FOR PREPARATION OF RISPERIDONE NADKARNI SUNIL SADANAND (IN) 2004-03-11 WO 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 984/4885BCHE 701/4885

“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.