SCHEMBL6676167

SCHEMBL6676167

Cc1cc(C(F)(F)F)ccc1C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.47
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
CES2 O00748 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CES1 P23141 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM1 Q13255 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL8974847 0.83 PDE2A (0.60) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL6681459 0.83 CES2 (0.51) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL8974843 0.83 PDE2A (0.60) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL6702844 0.83 CES2 (0.51) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL6681467 0.83 CES2 (0.51) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL6677088 0.82 PDE2A (0.49) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL4633442 0.81 PDE2A (0.63) PDE2AKDM4ECES2ALDH1A1HPGD
SCHEMBL4633445 0.81 PDE2A (0.63) PDE2AKDM4ECES2ALDH1A1HPGD
SCHEMBL6400526 0.79 PDE2A (0.47) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1
SCHEMBL6679457 0.79 CES2 (0.51) PDE2AKDM4ESMN1; SMN2CES2ALDH1A1

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 4 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

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 PDE2A 3242/4885KDM4E 74/4885SMN1; SMN2 1507/4885

“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.