SCHEMBL5365219

SCHEMBL5365219

O=C(CCl)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
TRPA1 O75762 1/20 0.42
HIF1A Q16665 1/20 0.42
TYK2 P29597 1/20 0.42
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40
TEAD2 Q15562 1/20 0.40
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CTSS P25774 2/20 0.38
CTSK P43235 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPT P10636 1/20 0.38
MITF O75030 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
SCHEMBL5358162 0.80 PTPN1 (0.48) GSK3BMAPK1TYK2CTNNB1WNT3A
SCHEMBL5357999 0.80 CTNNB1 (0.39) MAPK1TYK2CTNNB1WNT3APOLB
SCHEMBL5358195 0.78 CTNNB1 (0.57) GSK3BALDH1A1MAPK1TRPA1HIF1A
SCHEMBL4868895 0.78 CTSS (0.48) GSK3BYAP1TEAD4TEAD2CTNNB1
SCHEMBL5375712 0.78 YAP1 (0.46) GSK3BALDH1A1MAPK1TRPA1HIF1A
SCHEMBL5997275 0.77 CTNNB1 (0.41) MAPK1TYK2CTNNB1WNT3APOLB
SCHEMBL8447031 0.77 ALDH1A1 (0.48) ALDH1A1TYK2LMNAGAACTSS
SCHEMBL2886248 0.74 LMNA (0.44) ALDH1A1TYK2LMNAGAANFKB1
SCHEMBL1486789 0.74 LMNA (0.44) ALDH1A1TYK2LMNAGAANFKB1
SCHEMBL504216 0.74 CA12 (0.46) ALDH1A1TYK2LMNAGAANFKB1

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 100/4885MAPK1 2458/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 GSK3B 3980/4885ALDH1A1 100/4885MAPK1 2458/4885

“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.