SCHEMBL3212433

SCHEMBL3212433

COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc([N+](=O)[O-])c(OC)c2)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.78
MAPT P10636 3/20 0.73
APP P05067 2/20 0.73
ALDH1A1 P00352 3/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 2/20 0.64
NFE2L2 Q16236 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 2/20 0.64
THRB P10828 2/20 0.64
KMT2A Q03164 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ABCB1 P08183 2/20 0.64
AKR1B1 P15121 2/20 0.64
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL3212420 1.00 BACE1 (0.78) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL3205978 0.91 BACE1 (0.79) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL3205967 0.91 BACE1 (0.79) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL3209493 0.90 BACE1 (0.74) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL3209476 0.90 BACE1 (0.74) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL1648300 0.89 BACE1 (0.72) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL1648297 0.89 BACE1 (0.72) BACE1MAPTAPPALDH1A1CYP2D6
SCHEMBL1645650 0.88 BACE1 (1.00) BACE1MAPTAPPALDH1A1LMNA
SCHEMBL1645648 0.88 BACE1 (1.00) BACE1MAPTAPPALDH1A1LMNA
SCHEMBL5599057 0.87 MAPT (0.89) BACE1MAPTAPPALDH1A1CYP2D6

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 1/4885MAPT 8/4885APP 2/4885

“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.