SCHEMBL3218705

SCHEMBL3218705

CCN(CC)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.86
HDAC8 Q9BY41 2/20 0.55
NOX1 Q9Y5S8 1/20 0.50
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
GSK3B P49841 1/20 0.47
APP P05067 3/20 0.46
MAPT P10636 1/20 0.46
NFE2L2 Q16236 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3218717 1.00 BACE1 (0.86) BACE1HDAC8NOX1PTGER1PTGER4
SCHEMBL3211707 0.93 BACE1 (1.00) BACE1HDAC8GSK3BAPPMAPT
SCHEMBL3211720 0.93 BACE1 (1.00) BACE1HDAC8GSK3BAPPMAPT
SCHEMBL3208390 0.88 BACE1 (0.80) BACE1APPMAPTALDH1A1
SCHEMBL3208402 0.88 BACE1 (0.80) BACE1APPMAPTALDH1A1
SCHEMBL3222986 0.88 BACE1 (0.80) BACE1HDAC8GSK3BAPPMAPT
SCHEMBL3222998 0.88 BACE1 (0.80) BACE1HDAC8GSK3BAPPMAPT
SCHEMBL15474827 0.85 BACE1 (0.73) BACE1HDAC8GSK3BAPPMAPT
SCHEMBL15474828 0.85 BACE1 (0.73) BACE1HDAC8GSK3BAPPMAPT
SCHEMBL16485292 0.85 BACE1 (0.72) BACE1HDAC8GSK3BAPPMAPT

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 1/4885HDAC8 796/4885NOX1 2779/4885

“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.