SCHEMBL5358174

SCHEMBL5358174

O=C(CI)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.66
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
CFTR P13569 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
POLQ O75417 3/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
PIK3CA P42336 1/20 0.40
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL5362040 0.86 CES2 (0.66) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31491270 0.84 CES2 (0.68) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5367756 0.83 CES2 (0.66) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2097720 0.83 CES2 (0.66) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL26056992 0.83 CES2 (0.66) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8491028 0.80 CES2 (0.62) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL424263 0.80 CES2 (0.78) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11805874 0.78 CES2 (0.75) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1002163 0.77 CES2 (0.72) CES2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5367757 0.77 CTNNB1 (0.57) GAA

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 148/4885ALDH1A1 100/4885KDM4E 881/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 CES2 148/4885ALDH1A1 100/4885KDM4E 881/4885

“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.