SCHEMBL3211218

SCHEMBL3211218

COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(C)C)cc2[N+](=O)[O-])cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 1.00
MMP9 P14780 1/20 0.59
PTGS2 P35354 1/20 0.58
MAPT P10636 2/20 0.57
APP P05067 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL3211232 1.00 BACE1 (1.00) BACE1MMP9PTGS2MAPTAPP
SCHEMBL3211811 0.92 BACE1 (1.00) BACE1MMP9PTGS2MAPTAPP
SCHEMBL3211817 0.92 BACE1 (1.00) BACE1MMP9PTGS2MAPTAPP
SCHEMBL3225132 0.87 BACE1 (0.82) BACE1MMP9MAPTAPPALDH1A1
SCHEMBL3225107 0.87 BACE1 (0.82) BACE1MMP9MAPTAPPALDH1A1
SCHEMBL1645458 0.85 BACE1 (0.73) BACE1MMP9PTGS2MAPTAPP
SCHEMBL3212619 0.85 BACE1 (1.00) BACE1MMP9PTGS2MAPTAPP
SCHEMBL1645461 0.85 BACE1 (0.73) BACE1MMP9PTGS2MAPTAPP
SCHEMBL3212605 0.85 BACE1 (1.00) BACE1MMP9PTGS2MAPTAPP
SCHEMBL1648423 0.84 BACE1 (1.00) BACE1PTGS2

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 3 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-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 1/4885MMP9 601/4885PTGS2 1089/4885

“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.