SCHEMBL3221759

SCHEMBL3221759

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.69
AKR1B1 P15121 1/20 0.69
MAOB P27338 1/20 0.69
PTGS2 P35354 1/20 0.69
GLO1 Q04760 1/20 0.69
CAMK2A Q9UQM7 1/20 0.69
BACE1 P56817 14/20 0.64
GSK3B P49841 2/20 0.64
SRD5A2 P31213 1/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LTA4H P09960 1/20 0.56
NR1H2 P55055 1/20 0.56
BAX Q07812 1/20 0.56

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
SCHEMBL3221749 1.00 AKR1B10 (0.69) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3221748 0.94 BACE1 (0.67) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3221757 0.94 BACE1 (0.67) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3214950 0.90 BACE1 (0.70) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3214959 0.90 BACE1 (0.70) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL28361676 0.89 BACE1 (0.61) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL28361674 0.89 BACE1 (0.61) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL28985864 0.84 KMT2A (0.65) AKR1B10AKR1B1MAOBSRD5A2MEN1
SCHEMBL28985862 0.84 KMT2A (0.65) AKR1B10AKR1B1MAOBSRD5A2MEN1
SCHEMBL25194675 0.83 MAPT (0.73) MAOBSRD5A2MEN1ALDH1A1RAB9A

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 AKR1B10 1428/4885AKR1B1 1096/4885MAOB 969/4885

“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.