SCHEMBL3209225

SCHEMBL3209225

O=C(/C=C/c1cccc2ncccc12)CC(=O)/C=C/c1cccc2ncccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.51
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HSP90AA1 P07900 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ERN1 O75460 1/20 0.46
HDAC6 Q9UBN7 3/20 0.46
NSD2 O96028 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3209256 1.00 BACE1 (0.51) BACE1ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3222337 0.89 BACE1 (0.68) BACE1ALDH1A1MAPTHTTLMNA
SCHEMBL3222354 0.89 BACE1 (0.68) BACE1ALDH1A1MAPTHTTLMNA
SCHEMBL3530814 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3530817 0.86 ALDH1A1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3537296 0.85 HDAC6 (0.61) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL3537304 0.85 HDAC6 (0.61) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL10309032 0.80 MAPT (0.68) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL10275381 0.80 MAPT (0.68) ALDH1A1MAPTHTTSMN1; SMN2NPC1
SCHEMBL15474691 0.78 MAPT (0.62) BACE1ALDH1A1MAPTSMN1; SMN2NPC1

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 1/4885ALDH1A1 253/4885MAPT 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.