SCHEMBL12291330

SCHEMBL12291330

Cc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(CO)c2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.53
GSK3B P49841 4/20 0.53
FOS P01100 2/20 0.51
JUN P05412 2/20 0.51
MMP2 P08253 3/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
NFKB1 P19838 2/20 0.51
TLR9 Q9NR96 1/20 0.49
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C3 P42330 1/20 0.46
MMP13 P45452 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
GLO1 Q04760 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL15581529 0.91 BACE1 (0.57) BACE1MMP2MMP9MMP8NFKB1
SCHEMBL12291332 0.90 FOS (0.67) BACE1GSK3BFOSJUNMMP2
SCHEMBL26555577 0.89 FOS (0.63) BACE1GSK3BFOSJUNMMP2
SCHEMBL4544305 0.87 BACE1 (0.68) BACE1GSK3BFOSJUNMMP2
SCHEMBL12291341 0.86 GSK3B (0.65) BACE1GSK3BFOSJUNMMP2
SCHEMBL15249303 0.85 MMP2 (0.51) BACE1GSK3BFOSJUNMMP2
SCHEMBL12216391 0.85 MMP2 (0.41) BACE1GSK3BFOSJUNMMP2
SCHEMBL11928819 0.84 MMP2 (0.74) BACE1GSK3BFOSJUNMMP2
SCHEMBL13358511 0.84 GSK3B (0.69) BACE1GSK3BFOSJUNMMP2
SCHEMBL4544307 0.84 MMP2 (0.74) BACE1GSK3BFOSJUNMMP2

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 BACE1 4634/4885GSK3B 1707/4885FOS 2794/4885

“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.