SCHEMBL5367304

SCHEMBL5367304

O=C(CCl)c1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.47
ALDH1A1 P00352 6/20 0.44
HIF1A Q16665 2/20 0.44
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
TP53 P04637 1/20 0.40
KIF11 P52732 1/20 0.39
NOTUM Q6P988 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 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
SCHEMBL28826568 0.86 MAPT (0.50) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL5312305 0.86 TAS1R3 (0.49) GSK3BALDH1A1HIF1ATRPA1MAPK1
SCHEMBL7389495 0.83 THRA (0.44) RXRARXRBRXRGCTNNB1WNT3A
SCHEMBL5376041 0.81 GSK3B (0.46) GSK3BALDH1A1RXRARXRBRXRG
SCHEMBL5365512 0.81 GSK3B (0.59) GSK3BRXRARXRBRXRGKIF11
SCHEMBL1925145 0.79 PLOD2 (0.59) GSK3BRXRARXRBRXRGCTNNB1
SCHEMBL31542017 0.79 NOTUM (0.42) ALDH1A1RXRARXRBRXRGKIF11
SCHEMBL2680326 0.79 NOTUM (0.42) ALDH1A1RXRARXRBRXRGKIF11
SCHEMBL31319449 0.76 RXRA (0.48) RXRARXRBRXRGKDM4ETP53
SCHEMBL827082 0.76 RXRA (0.48) RXRARXRBRXRGKDM4ETP53

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 GSK3B 3980/4885ALDH1A1 100/4885HIF1A 3855/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 GSK3B 3980/4885ALDH1A1 100/4885HIF1A 3855/4885

“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.