SCHEMBL3221748

SCHEMBL3221748

O=C(/C=C/c1ccc(Oc2ccccc2)cc1)CC(=O)/C=C/c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.67
GSK3B P49841 3/20 0.67
RAB9A P51151 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
NPC1 O15118 2/20 0.64
SRD5A2 P31213 1/20 0.64
LMNA P02545 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HAO1 Q9UJM8 1/20 0.61
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
MAOB P27338 1/20 0.56
PTGS2 P35354 1/20 0.56
GLO1 Q04760 1/20 0.56
CAMK2A Q9UQM7 1/20 0.56
FFAR1 O14842 1/20 0.53
MAPT P10636 2/20 0.52
APP P05067 1/20 0.52

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
SCHEMBL3221757 1.00 BACE1 (0.67) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL28361674 0.95 BACE1 (0.61) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL28361676 0.95 BACE1 (0.61) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL3221759 0.94 AKR1B10 (0.69) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL3221749 0.94 AKR1B10 (0.69) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL28555164 0.86 BACE1 (0.56) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL1006525 0.85 SRD5A2 (0.84) RAB9AKMT2AALDH1A1MEN1NPC1
SCHEMBL1711041 0.85 SRD5A2 (0.84) RAB9AKMT2AALDH1A1MEN1NPC1
SCHEMBL3213833 0.85 BACE1 (0.72) BACE1GSK3BRAB9AKMT2AALDH1A1
SCHEMBL3213822 0.85 BACE1 (0.72) BACE1GSK3BRAB9AKMT2AALDH1A1

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 1/4885GSK3B 851/4885RAB9A 1684/4885

“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.