SCHEMBL3208545

SCHEMBL3208545

CCN(CC)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(CC)CC)cc2OCCO)c(OCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.63
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
APP P05067 1/20 0.45
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3208549 1.00 BACE1 (0.63) BACE1L3MBTL1ALDH1A1APPRARB
SCHEMBL3207729 0.91 BACE1 (0.78) BACE1APPMAPT
SCHEMBL3207746 0.91 BACE1 (0.78) BACE1APPMAPT
SCHEMBL3212575 0.85 BACE1 (0.83) BACE1L3MBTL1ALDH1A1APPHDAC8
SCHEMBL3212569 0.85 BACE1 (0.83) BACE1L3MBTL1ALDH1A1APPHDAC8
SCHEMBL3208287 0.83 BACE1 (0.84) BACE1L3MBTL1ALDH1A1APPHDAC8
SCHEMBL3208275 0.83 BACE1 (0.84) BACE1L3MBTL1ALDH1A1APPHDAC8
SCHEMBL3224984 0.83 ALDH1A1 (0.67) BACE1L3MBTL1ALDH1A1RARBRARG
SCHEMBL3218717 0.82 BACE1 (0.86) BACE1L3MBTL1ALDH1A1APPHDAC8
SCHEMBL3218705 0.82 BACE1 (0.86) BACE1L3MBTL1ALDH1A1APPHDAC8

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 1/4885L3MBTL1 2164/4885ALDH1A1 253/4885

“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.