SCHEMBL6702844

SCHEMBL6702844

O=C(O)[C@@H](O)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.51
PDE2A O00408 4/20 0.44
POLQ O75417 3/20 0.43
KDM4E B2RXH2 2/20 0.41
CES1 P23141 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SRD5A2 P31213 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
SCHEMBL6681467 1.00 CES2 (0.51) CES2PDE2APOLQKDM4ECES1
SCHEMBL6681459 1.00 CES2 (0.51) CES2PDE2APOLQKDM4ECES1
SCHEMBL6679457 0.86 CES2 (0.51) CES2PDE2APOLQKDM4ECES1
SCHEMBL6679460 0.86 CES2 (0.51) CES2PDE2APOLQKDM4ECES1
SCHEMBL6701810 0.86 CES2 (0.51) CES2PDE2APOLQKDM4ECES1
SCHEMBL6676167 0.83 PDE2A (0.47) CES2PDE2AKDM4ECES1ALDH1A1
SCHEMBL7473523 0.83 CES2 (0.42) CES2CES1
SCHEMBL7473531 0.83 CES2 (0.42) CES2CES1
SCHEMBL8974847 0.83 PDE2A (0.60) CES2PDE2AKDM4ECES1ALDH1A1
SCHEMBL8974843 0.83 PDE2A (0.60) CES2PDE2AKDM4ECES1ALDH1A1

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 1 patent. 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 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 115/4885PDE2A 3242/4885POLQ 3500/4885

“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.