SCHEMBL3218031

SCHEMBL3218031

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.58
AKR1B1 P15121 1/20 0.58
MAOB P27338 1/20 0.58
PTGS2 P35354 1/20 0.58
GLO1 Q04760 1/20 0.58
CAMK2A Q9UQM7 1/20 0.58
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
BACE1 P56817 17/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL3218041 1.00 AKR1B10 (0.58) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3209446 0.89 RAB9A (0.62) MAOBNPC1MAPTMAPK1RAB9A
SCHEMBL3209460 0.89 RAB9A (0.62) MAOBNPC1MAPTMAPK1RAB9A
SCHEMBL3214719 0.84 BACE1 (0.57) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3215584 0.77 BACE1 (0.70) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3215575 0.77 BACE1 (0.70) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3207951 0.76 AKR1B10 (0.58) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3207939 0.76 AKR1B10 (0.58) AKR1B10AKR1B1MAOBPTGS2GLO1
Bisdemethoxycurcumin SCHEMBL428638 0.76 AKR1B1 (1.00) AKR1B10AKR1B1MAOBPTGS2GLO1
Bisdemethoxycurcumin SCHEMBL2574140 0.76 AKR1B1 (1.00) AKR1B10AKR1B1MAOBPTGS2GLO1

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.