SCHEMBL6727006

SCHEMBL6727006

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

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.87
BACE1 P56817 3/20 0.87
CYP2D6 P10635 3/20 0.80
NFKB1 P19838 3/20 0.80
CYP1A2 P05177 2/20 0.80
ALOX5 P09917 2/20 0.80
HSD11B1 P28845 2/20 0.80
STAT3 P40763 2/20 0.80
NFKB2 Q00653 2/20 0.80
RELA Q04206 2/20 0.80
NFE2L2 Q16236 2/20 0.80
GLO1 Q04760 3/20 0.76
KDM4E B2RXH2 2/20 0.73
CA12 O43570 2/20 0.73
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
CA3 P07451 2/20 0.73
PKM P14618 2/20 0.73
CA4 P22748 2/20 0.73
CA6 P23280 2/20 0.73

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
SCHEMBL3680675 1.00 GSK3B (0.87) GSK3BBACE1CYP2D6NFKB1CYP1A2
SCHEMBL29855588 1.00 GSK3B (0.87) GSK3BBACE1CYP2D6NFKB1CYP1A2
SCHEMBL29370884 1.00 GSK3B (0.87) GSK3BBACE1CYP2D6NFKB1CYP1A2
SCHEMBL242412 1.00 GSK3B (0.87) GSK3BBACE1CYP2D6NFKB1CYP1A2
SCHEMBL3433171 1.00 GSK3B (0.87) GSK3BBACE1CYP2D6NFKB1CYP1A2
Methylcurcumin SCHEMBL9907002 0.96 GSK3B (0.81) GSK3BBACE1CYP2D6NFKB1CYP1A2
SCHEMBL22902413 0.96 GSK3B (0.81) GSK3BBACE1CYP2D6NFKB1CYP1A2
SCHEMBL16888009 0.96 GSK3B (0.81) GSK3BBACE1CYP2D6NFKB1CYP1A2
Demethoxycurcumin SCHEMBL9907007 0.95 GSK3B (0.83) GSK3BBACE1CYP2D6NFKB1CYP1A2
Demethoxycurcumin SCHEMBL29374534 0.95 GSK3B (0.83) GSK3BBACE1CYP2D6NFKB1CYP1A2

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-20120122913-A1 COMBINATION OF CURCUMINOIDS AND MTOR INHIBITORS FOR THE TREATMENT OF TAUOPATHIES INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFQUE 2012-05-17 US disclosed
US-20120122913-A1 COMBINATION OF CURCUMINOIDS AND MTOR INHIBITORS FOR THE TREATMENT OF TAUOPATHIES INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFQUE 2012-05-17 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-20120122913-A1 COMBINATION OF CURCUMINOIDS AND MTOR INHIBITORS FOR THE TREATMENT OF TAUOPATHIES MAPT, MTOR, RPTOR GSK3B 56/4885BACE1 37/4885CYP2D6 4791/4885

“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.