SCHEMBL5376041

SCHEMBL5376041

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KIF11 P52732 1/20 0.39
NOTUM Q6P988 1/20 0.39
CES2 O00748 3/20 0.38
PTPN1 P18031 2/20 0.38
CTNNB1 P35222 6/20 0.37
WNT3A P56704 6/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES1 P23141 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5365512 0.81 GSK3B (0.59) GSK3BRXRARXRBRXRGKIF11
SCHEMBL5367304 0.81 GSK3B (0.47) GSK3BRXRARXRBRXRGKIF11
SCHEMBL1925145 0.79 PLOD2 (0.59) GSK3BRXRARXRBRXRGKIF11
SCHEMBL31319449 0.76 RXRA (0.48) RXRARXRBRXRGKIF11NOTUM
SCHEMBL827082 0.76 RXRA (0.48) RXRARXRBRXRGKIF11NOTUM
SCHEMBL7389495 0.76 THRA (0.44) RXRARXRBRXRGCTNNB1WNT3A
SCHEMBL2680326 0.75 NOTUM (0.42) RXRARXRBRXRGKIF11NOTUM
SCHEMBL2709797 0.75 AR (0.45) RXRARXRBRXRGKIF11NOTUM
SCHEMBL22060014 0.75 NOTUM (0.42) RXRARXRBRXRGKIF11NOTUM
SCHEMBL31542017 0.75 NOTUM (0.42) RXRARXRBRXRGKIF11NOTUM

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 3980/4885RXRA 781/4885RXRB 918/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 GSK3B 3980/4885RXRA 781/4885RXRB 918/4885

“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.