SCHEMBL1646178

SCHEMBL1646178

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cc(OCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.72
GSK3B P49841 1/20 0.44
INPPL1 O15357 1/20 0.44

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
SCHEMBL1646180 1.00 BACE1 (0.72) BACE1GSK3BINPPL1
SCHEMBL1647007 0.85 BACE1 (1.00) BACE1
SCHEMBL1647009 0.85 BACE1 (1.00) BACE1
SCHEMBL1648443 0.81 BACE1 (1.00) BACE1GSK3B
SCHEMBL1648440 0.81 BACE1 (1.00) BACE1GSK3B
SCHEMBL1645129 0.81 BACE1 (0.68) BACE1GSK3B
SCHEMBL1645124 0.81 BACE1 (0.68) BACE1GSK3B
SCHEMBL1645647 0.80 BACE1 (0.80) BACE1
SCHEMBL1645651 0.80 BACE1 (0.80) BACE1
SCHEMBL1646231 0.80 BACE1 (0.82) BACE1GSK3B

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 5 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-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP 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 851/4885INPPL1 1525/4885

“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.