SCHEMBL12291341

SCHEMBL12291341

COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(CO)c2)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.65
BACE1 P56817 4/20 0.65
MMP2 P08253 3/20 0.63
MMP9 P14780 3/20 0.63
NFKB1 P19838 3/20 0.63
MMP8 P22894 2/20 0.63
MMP13 P45452 2/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
GLO1 Q04760 2/20 0.55
CYP2D6 P10635 3/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX5 P09917 2/20 0.54
HSD11B1 P28845 2/20 0.54
STAT3 P40763 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
NFE2L2 Q16236 2/20 0.54
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL4544307 0.92 MMP2 (0.74) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL11928819 0.92 MMP2 (0.74) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL13446382 0.92 MMP2 (0.74) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL16093015 0.91 HDAC1 (0.58) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL25229250 0.88 GSK3B (0.81) GSK3BBACE1MMP9NFKB1MMP13
SCHEMBL13358175 0.86 GSK3B (0.71) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL16884580 0.86 GSK3B (0.71) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL26397843 0.86 MMP9 (0.84) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL12291330 0.86 BACE1 (0.53) GSK3BBACE1MMP2MMP9NFKB1
SCHEMBL13358511 0.85 GSK3B (0.69) GSK3BBACE1MMP2MMP9NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224205-A1 USE OF CURCUMIN OR ITS ANALOGUES IN CANCER THERAPY UTILIZING EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITOR NATIONAL TAIWAN UNIVERSITY (TW) 2011-09-15 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-20110224205-A1 USE OF CURCUMIN OR ITS ANALOGUES IN CANCER THERAPY UTILIZING EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITOR EGFR, ERBB2, ERBB4 GSK3B 1707/4885BACE1 4634/4885MMP2 700/4885

“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.