SCHEMBL4501425

SCHEMBL4501425

O=C1C=C(O)C(CCc2ccccc2)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
FASN P49327 1/20 0.44
DAO P14920 3/20 0.38
XIAP P98170 2/20 0.37
PLA2G6 O60733 2/20 0.36
PLA2G4A P47712 1/20 0.36
KEAP1 Q14145 1/20 0.36
GPR52 Q9Y2T5 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
SCHEMBL4496886 0.90 CYP3A4 (0.43) CYP3A4FASNDAOXIAPPLA2G6
SCHEMBL4664699 0.87 FFAR1 (0.50)
SCHEMBL4490049 0.83 LMNA (0.45) CYP3A4FASN
SCHEMBL1799995 0.76 LMNA (0.47) CYP3A4DAO
SCHEMBL11138811 0.76 FASN (0.58) CYP3A4FASNPLA2G6PLA2G4A
SCHEMBL7357857 0.73 CYP3A4 (0.66) CYP3A4FASN
SCHEMBL13223291 0.70 FASN (0.51) CYP3A4FASNPLA2G6PLA2G4A
SCHEMBL17760882 0.70 FASN (0.47) CYP3A4FASNPLA2G6PLA2G4A
SCHEMBL8985179 0.69 FASN (0.46) CYP3A4FASNDAOPLA2G6PLA2G4A
SCHEMBL19447203 0.69 FASN (0.58) CYP3A4FASNDAOPLA2G6PLA2G4A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US 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 (3 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 CYP3A4 2131/4885FASN 953/4885DAO 2538/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP3A4 2131/4885FASN 953/4885DAO 2538/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 CYP3A4 453/4885FASN 1291/4885DAO 450/4885

“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.