SCHEMBL6675458

SCHEMBL6675458

CCOC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.47
FFAR1 O14842 5/20 0.46
PPARG P37231 2/20 0.46
EPHX2 P34913 1/20 0.46
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GAA P10253 1/20 0.43
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL2484700 1.00 CES2 (0.56) CES2CES1NPSR1POLBFFAR1
SCHEMBL11838371 0.95 CES2 (0.51) CES2CES1NPSR1POLBFFAR1
SCHEMBL1043699 0.85 NPSR1 (0.49) CES2CES1NPSR1POLBFFAR1
SCHEMBL28147664 0.85 NPSR1 (0.49) CES2CES1NPSR1POLBFFAR1
SCHEMBL280235 0.85 ALDH1A1 (0.48) FFAR1EPHX2MAPTKMT2AMEN1
SCHEMBL15917904 0.84 CASP1 (0.51) CES2CES1NPSR1POLBFFAR1
SCHEMBL9315410 0.83 POLB (0.50) CES2CES1NPSR1POLBFFAR1
SCHEMBL6676161 0.83 CES2 (0.59) CES2CES1NPSR1EPHX2
SCHEMBL1566691 0.83 CES2 (0.59) CES2CES1NPSR1EPHX2
SCHEMBL1566692 0.83 CES2 (0.59) CES2CES1NPSR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2004-12-09 US claimed
WO-2004037760-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES CENTRAL GLASS COMPANY, LIMITED (JP) 2004-05-06 WO claimed
US-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2004-12-09 US disclosed
WO-2004037760-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE 2-ALKOXY-1-(TRIFLUOROMETHYL-SUBSTITUTED PHENYL)ETHANOL DERIVATIVES CENTRAL GLASS COMPANY, LIMITED (JP) 2004-05-06 WO disclosed
US-4255445-A DOPAMINERGIC ACTIVITY, RENAL VASODILATING ACTIVITY SMITHKLINE CORPORATION (US) 1981-03-10 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-20040249220-A1 Process for producing optically active 2-alkoxy-1-(trifluoromethyl-substituted phenyl) ethanol derivatives ADH1A, ADH1C, ADH5 CES2 115/4885CES1 9/4885NPSR1 4652/4885

“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.