SCHEMBL1648443

SCHEMBL1648443

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 1.00
GSK3B P49841 2/20 0.63
ABCG2 Q9UNQ0 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL1648440 1.00 BACE1 (1.00) BACE1GSK3BABCG2NPC1RAB9A
SCHEMBL1646226 0.90 BACE1 (0.82) BACE1GSK3BSMN1; SMN2
SCHEMBL1646231 0.90 BACE1 (0.82) BACE1GSK3BSMN1; SMN2
SCHEMBL1648388 0.88 BACE1 (0.79) BACE1GSK3BSMN1; SMN2
SCHEMBL1648392 0.88 BACE1 (0.79) BACE1GSK3BSMN1; SMN2
SCHEMBL1648284 0.87 BACE1 (0.77) BACE1GSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL1647408 0.87 BACE1 (0.77) BACE1GSK3BRAB9A
SCHEMBL1647409 0.87 BACE1 (0.77) BACE1GSK3BRAB9A
SCHEMBL1648289 0.87 BACE1 (0.77) BACE1GSK3BNPC1RAB9ASMN1; SMN2
SCHEMBL1648577 0.85 BACE1 (0.74) BACE1NPC1RAB9ASMN1; SMN2

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 6 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
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-04-07 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 (2 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 851/4885ABCG2 3722/4885
US-20110082295-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885GSK3B 1197/4885ABCG2 1840/4885

“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.