SCHEMBL3220717

SCHEMBL3220717

O=C(/C=C/c1cc2ccccc2[nH]1)CC(=O)/C=C/c1cc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.56
ATP6V1B1 P15313 1/20 0.55
MAPK1 P28482 2/20 0.54
MAPT P10636 2/20 0.54
IDO1 P14902 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
FLT3 P36888 1/20 0.47
DAO P14920 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 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
SCHEMBL3220733 1.00 CYP2A6 (0.56) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL15475156 0.93 ATP6V1B1 (0.52) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL15475158 0.93 ATP6V1B1 (0.52) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL14386994 0.89 CYP2A6 (0.51) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL29455098 0.85 CYP2A6 (0.58) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL245110 0.85 CYP2A6 (0.58) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL30640889 0.85 CYP2A6 (0.58) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL179872 0.85 CYP2A6 (0.58) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL31447975 0.83 CYP2A6 (0.56) CYP2A6ATP6V1B1MAPK1MAPTIDO1
SCHEMBL13229465 0.83 CYP2A6 (0.56) CYP2A6ATP6V1B1MAPK1MAPTIDO1

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 CYP2A6 3242/4885ATP6V1B1 4220/4885MAPK1 921/4885

“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.