SCHEMBL3219281

SCHEMBL3219281

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 1.00
MAOB P27338 4/20 0.67
AKR1B1 P15121 2/20 0.67
AKR1B10 O60218 1/20 0.67
PTGS2 P35354 1/20 0.67
GLO1 Q04760 1/20 0.67
CAMK2A Q9UQM7 1/20 0.67
MAOA P21397 2/20 0.62
HSD17B3 P37058 1/20 0.61
SLC6A19 Q695T7 1/20 0.57
ABCB1 P08183 1/20 0.55
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL3219293 1.00 BACE1 (1.00) BACE1MAOBAKR1B1AKR1B10PTGS2
SCHEMBL16589017 0.91 BACE1 (0.82) BACE1MAOBMAOAHSD17B3SLC6A19
SCHEMBL3211591 0.86 BACE1 (0.75) BACE1MAOBAKR1B1AKR1B10PTGS2
SCHEMBL3211603 0.86 BACE1 (0.75) BACE1MAOBAKR1B1AKR1B10PTGS2
SCHEMBL3395884 0.84 BACE1 (0.71) BACE1MAOBAKR1B1PTGS2MAOA
SCHEMBL16588974 0.82 BACE1 (0.69) BACE1MAOBMAOAHSD17B3SLC6A19
Bisdemethoxycurcumin SCHEMBL2574140 0.82 AKR1B1 (1.00) BACE1MAOBAKR1B1AKR1B10PTGS2
Bisdemethoxycurcumin SCHEMBL428638 0.82 AKR1B1 (1.00) BACE1MAOBAKR1B1AKR1B10PTGS2
SCHEMBL3222373 0.81 TTR (0.77) BACE1MAOBAKR1B1AKR1B10PTGS2
SCHEMBL6954978 0.81 BACE1 (0.68) BACE1MAOBAKR1B1PTGS2GLO1

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 1/4885MAOB 969/4885AKR1B1 1096/4885

“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.