SCHEMBL1646231

SCHEMBL1646231

COc1ccc(COc2ccc([N+](=O)[O-])c(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.82
GSK3B P49841 1/20 0.52
MAPT P10636 3/20 0.52
TLR4 O00206 1/20 0.50
TLR2 O60603 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1646226 1.00 BACE1 (0.82) BACE1GSK3BMAPTTLR4TLR2
SCHEMBL1646886 0.91 BACE1 (1.00) BACE1GSK3BMAPTSMN1; SMN2
SCHEMBL1646884 0.91 BACE1 (1.00) BACE1GSK3BMAPTSMN1; SMN2
SCHEMBL1648440 0.90 BACE1 (1.00) BACE1GSK3BSMN1; SMN2
SCHEMBL1648443 0.90 BACE1 (1.00) BACE1GSK3BSMN1; SMN2
SCHEMBL1647408 0.89 BACE1 (0.77) BACE1GSK3BMAPTMEN1HTT
SCHEMBL1647409 0.89 BACE1 (0.77) BACE1GSK3BMAPTMEN1HTT
SCHEMBL1645647 0.87 BACE1 (0.80) BACE1MAPT
SCHEMBL1645651 0.87 BACE1 (0.80) BACE1MAPT
SCHEMBL1648388 0.83 BACE1 (0.79) BACE1GSK3BMAPTALDH1A1HTT

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 851/4885MAPT 8/4885

“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.