SCHEMBL5357587

SCHEMBL5357587

O=C(CCl)c1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.66
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
TEAD2 Q15562 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PSMB11 A5LHX3 3/20 0.41
PSMA7 O14818 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMA1 P25786 3/20 0.41
PSMA2 P25787 3/20 0.41
PSMA3 P25788 3/20 0.41
PSMA4 P25789 3/20 0.41
PSMB8 P28062 3/20 0.41
PSMB9 P28065 3/20 0.41
PSMA5 P28066 3/20 0.41
PSMB4 P28070 3/20 0.41

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
SCHEMBL5367756 0.86 CES2 (0.66) CES2YAP1TEAD4TEAD2TMPRSS4
SCHEMBL5898534 0.83 CES2 (0.66) CES2TMPRSS4ALDH1A1KDM4EHPGD
SCHEMBL5362040 0.83 CES2 (0.66) CES2TMPRSS4ALDH1A1KDM4EHPGD
SCHEMBL3920354 0.83 CES2 (0.66) CES2TMPRSS4ALDH1A1KDM4EHPGD
SCHEMBL937701 0.80 CES2 (0.72) CES2TMPRSS4ALDH1A1KDM4EHPGD
SCHEMBL503272 0.78 CES2 (0.75) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2856986 0.77 CES2 (0.72) CES2TMPRSS4ALDH1A1KDM4EHPGD
SCHEMBL2001145 0.77 CES2 (0.72) CES2TMPRSS4ALDH1A1KDM4EHPGD
SCHEMBL5358195 0.77 CTNNB1 (0.57) YAP1TEAD4TEAD2ALDH1A1GSK3B
SCHEMBL31004884 0.77 CES2 (0.72) CES2TMPRSS4ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189863-B2 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-13 US disclosed
US-20060128976-A1 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-7053248-B2 brominating a trifluoromethyl-substituted acetophenone with bromine in presence of acetalization agent that is an alkylene diol, reacting the brominated acetal with metal alkoxide thereby converting brominated acetal into ether, hydrolyzing ether in presence of acid catalyst to remove an acetal group CENTRAL GLASS COMPANY, LIMITED (JP) 2006-05-30 US disclosed
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2005-08-04 US disclosed
EP-1546126-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL-SUBSTITUTED 2-ALKOXYACETOPHENONE DERIVATIVES Central Glass Company, Limited (JP) 2005-06-29 EP disclosed
WO-2004014887-A1 PROCESS FOR PRODUCING TRIFLUOROMETHYL-SUBSTITUTED 2-ALKOXYACETOPHENONE DERIVATIVES CENTRAL GLASS COMPANY, LIMITED (JP) 2004-02-19 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 (2 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-20060128976-A1 Process for producing trifluoromethyl-substituted 2-alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 CES2 148/4885YAP1 3998/4885TEAD4 1791/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 CES2 148/4885YAP1 3998/4885TEAD4 1791/4885

“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.