SCHEMBL1647409

SCHEMBL1647409

CC(C)(C)c1ccc(COc2ccc([N+](=O)[O-])c(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.77
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL1647408 1.00 BACE1 (0.77) BACE1GSK3BKDM4EMEN1POLB
SCHEMBL1646231 0.89 BACE1 (0.82) BACE1GSK3BMEN1MAPTHTT
SCHEMBL1646226 0.89 BACE1 (0.82) BACE1GSK3BMEN1MAPTHTT
SCHEMBL1648440 0.87 BACE1 (1.00) BACE1GSK3BRAB9A
SCHEMBL1648443 0.87 BACE1 (1.00) BACE1GSK3BRAB9A
SCHEMBL1645651 0.82 BACE1 (0.80) BACE1MAPT
SCHEMBL1645647 0.82 BACE1 (0.80) BACE1MAPT
SCHEMBL1646886 0.82 BACE1 (1.00) BACE1GSK3BMAPTRAB9A
SCHEMBL1646884 0.82 BACE1 (1.00) BACE1GSK3BMAPTRAB9A
SCHEMBL1648388 0.80 BACE1 (0.79) BACE1GSK3BMAPTHTT

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 851/4885KDM4E 1141/4885

“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.