SCHEMBL1645129

SCHEMBL1645129

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1cc(OCc2c(F)cccc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.68
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GSK3B P49841 1/20 0.45

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
SCHEMBL1645124 1.00 BACE1 (0.68) BACE1SMN1; SMN2NPSR1GSK3B
SCHEMBL1648443 0.81 BACE1 (1.00) BACE1SMN1; SMN2GSK3B
SCHEMBL1648440 0.81 BACE1 (1.00) BACE1SMN1; SMN2GSK3B
SCHEMBL1646180 0.81 BACE1 (0.72) BACE1GSK3B
SCHEMBL1646178 0.81 BACE1 (0.72) BACE1GSK3B
SCHEMBL1647131 0.81 AR (0.44) SMN1; SMN2NPSR1
SCHEMBL1645647 0.78 BACE1 (0.80) BACE1
SCHEMBL1645651 0.78 BACE1 (0.80) BACE1
SCHEMBL1646231 0.78 BACE1 (0.82) BACE1SMN1; SMN2NPSR1GSK3B
SCHEMBL1646226 0.78 BACE1 (0.82) BACE1SMN1; SMN2NPSR1GSK3B

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 1/4885SMN1; SMN2 1023/4885NPSR1 1048/4885

“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.