SCHEMBL5362885

SCHEMBL5362885

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CTNNB1 P35222 5/20 0.42
WNT3A P56704 5/20 0.42
CTSS P25774 3/20 0.39
TAS2R14 Q9NYV8 2/20 0.37
KAT6A Q92794 1/20 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
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 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
SCHEMBL5367757 0.84 CTNNB1 (0.57) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL5375712 0.83 YAP1 (0.46) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL5358010 0.83 PTPN1 (0.46) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL23041398 0.80 LMNA (0.48) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL1195140 0.78 TAS2R14 (0.51) LMNAGAATAS2R14KCNK3KCNK9
SCHEMBL5357999 0.78 CTNNB1 (0.39) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL7399514 0.78 LMNA (0.47) LMNAGAACTNNB1WNT3ACTSS
SCHEMBL634076 0.77 PARP1 (0.47) LMNAGAACTSSTAS2R14PTGS1
SCHEMBL3108190 0.77 LMNA (0.46) LMNAGAACTNNB1WNT3ATAS2R14
SCHEMBL2189933 0.77 LMNA (0.46) LMNAGAACTNNB1WNT3ACTSS

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 LMNA 2115/4885GAA 997/4885CTNNB1 3589/4885
US-20050171363-A1 Process for producing trifluoromethyl- substituted 2- alkoxyacetophenone derivatives HACL2, BOLA2; BOLA2B, ADH5 LMNA 2115/4885GAA 997/4885CTNNB1 3589/4885

“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.