SCHEMBL3218904

SCHEMBL3218904

COc1ccc2cc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.74
GSK3B P49841 1/20 0.69
AKR1B1 P15121 2/20 0.67
MAOB P27338 2/20 0.67
ABCB1 P08183 1/20 0.67
MAOA P21397 1/20 0.67
AKR1B10 O60218 1/20 0.63
PTGS2 P35354 1/20 0.63
GLO1 Q04760 1/20 0.63
CAMK2A Q9UQM7 1/20 0.63
MAPT P10636 5/20 0.62
APP P05067 4/20 0.62
XDH P47989 1/20 0.58
P4HB P07237 1/20 0.57
CALM1 P0DP23 1/20 0.57
RAB9A P51151 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL3218888 1.00 BACE1 (0.74) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL14864159 0.90 GSK3B (0.87) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3209220 0.87 BACE1 (0.68) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3209234 0.87 BACE1 (0.68) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3218636 0.86 BACE1 (0.83) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3218652 0.86 BACE1 (0.83) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3222975 0.85 BACE1 (0.77) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3222958 0.85 BACE1 (0.77) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3209191 0.85 MAPT (0.74) BACE1GSK3BAKR1B1MAOBABCB1
SCHEMBL3209216 0.85 MAPT (0.74) BACE1GSK3BAKR1B1MAOBABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885GSK3B 851/4885AKR1B1 1096/4885

“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.