SCHEMBL4490049

SCHEMBL4490049

O=C1C=C(O)C(Cc2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
CTRB1 P17538 1/20 0.40
FASN P49327 1/20 0.39
MMP2 P08253 2/20 0.38
STK17B O94768 1/20 0.38
GRM2 Q14416 1/20 0.37
CYP3A4 P08684 1/20 0.37
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TLR9 Q9NR96 1/20 0.36
EP300 Q09472 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4501425 0.83 CYP3A4 (0.48) FASNCYP3A4
SCHEMBL4496886 0.80 CYP3A4 (0.43) FASNCYP3A4
SCHEMBL1799995 0.79 LMNA (0.47) LMNACYP3A4
SCHEMBL4666667 0.75 CYP3A4 (0.47) LMNAGAACTRB1FASNGRM2
SCHEMBL7629569 0.74 CTRB1 (0.53) CTRB1FASNGRM2F2PRSS1
SCHEMBL8775595 0.73 KDM4E (0.44) LMNACTRB1FASNMMP2STK17B
SCHEMBL8775269 0.73 KDM4E (0.44) LMNACTRB1FASNMMP2STK17B
SCHEMBL8775275 0.73 KDM4E (0.44) LMNACTRB1FASNMMP2STK17B
SCHEMBL2858795 0.72 CTRB1 (0.52) CTRB1FASNGRM2F2PRSS1
SCHEMBL4664699 0.72 FFAR1 (0.50) LMNAGRM2

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 LMNA 1625/4885GAA 70/4885CTRB1 158/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 LMNA 1625/4885GAA 70/4885CTRB1 158/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 LMNA 2861/4885GAA 4/4885CTRB1 52/4885

“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.