SCHEMBL4906735

SCHEMBL4906735

COc1cc(/C=C/C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O.COc1cc(/C=C/C(=O)/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.86
JUN P05412 3/20 0.86
CYP2D6 P10635 3/20 0.78
CYP1A2 P05177 2/20 0.78
ALOX5 P09917 2/20 0.78
HSD11B1 P28845 2/20 0.78
STAT3 P40763 2/20 0.78
NFKB2 Q00653 2/20 0.78
RELA Q04206 2/20 0.78
NFE2L2 Q16236 2/20 0.78
APP P05067 3/20 0.68
KDM4E B2RXH2 2/20 0.63
CA12 O43570 2/20 0.63
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA3 P07451 2/20 0.63
PKM P14618 2/20 0.63
CA4 P22748 2/20 0.63
CA6 P23280 2/20 0.63
CA5A P35218 2/20 0.63

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
SCHEMBL4906742 1.00 NFKB1 (0.86) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL3207347 0.93 NFKB1 (1.00) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL3207352 0.93 NFKB1 (1.00) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL18270515 0.92 NFKB1 (0.71) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL19534824 0.91 GSK3B (0.72) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL2744234 0.90 CYP2D6 (0.91) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL2744233 0.90 CYP2D6 (0.91) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL2173807 0.90 APP (0.80) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL29478095 0.89 CYP2D6 (1.00) NFKB1JUNCYP2D6CYP1A2ALOX5
SCHEMBL1493283 0.89 CYP2D6 (1.00) NFKB1JUNCYP2D6CYP1A2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432401-B2 Method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties Fundação de Amparo a Pesquisa Do Estado de São Paulo (BR) 2008-10-07 US disclosed
US-20060128997-A1 New method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties FUNDACAO DE AMPARO A PESQUISA DO ESTADO DE SAO PAULO (BR) 2006-06-15 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 (1 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-20060128997-A1 New method for the preparation of 1,5-bis(4-hydroxy-3-metoxy-phenyl)-penta-1,4-dien-3-one and derivatives with antitumoral properties DDB1, ANXA1, ANXA5 NFKB1 310/4885JUN 3433/4885CYP2D6 1648/4885

“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.