SCHEMBL5375712

SCHEMBL5375712

O=C(CCl)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46
TEAD2 Q15562 1/20 0.46
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
GSK3B P49841 2/20 0.41
CTSS P25774 4/20 0.38
CTSK P43235 1/20 0.38
P2RX7 Q99572 1/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
PTGS1 P23219 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL5358195 0.84 CTNNB1 (0.57) YAP1TEAD4TEAD2LMNAGAA
SCHEMBL4868895 0.83 CTSS (0.48) YAP1TEAD4TEAD2LMNAGAA
SCHEMBL5358010 0.83 PTPN1 (0.46) LMNAGAACTNNB1WNT3AGSK3B
SCHEMBL5362885 0.83 LMNA (0.42) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL2189933 0.80 LMNA (0.46) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL23041398 0.80 LMNA (0.48) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL5365219 0.78 GSK3B (0.46) YAP1TEAD4TEAD2LMNAGAA
SCHEMBL7399514 0.78 LMNA (0.47) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL1195140 0.78 TAS2R14 (0.51) LMNAGAAALDH1A1TAS2R14KCNK3
SCHEMBL634076 0.77 PARP1 (0.47) LMNAGAACTSSCTSKALDH1A1

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 YAP1 3998/4885TEAD4 1791/4885TEAD2 1799/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 YAP1 3998/4885TEAD4 1791/4885TEAD2 1799/4885

“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.