SCHEMBL3222733

SCHEMBL3222733

CN(C)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.73
AKR1B1 P15121 2/20 0.73
AKR1B10 O60218 1/20 0.73
PTGS2 P35354 1/20 0.73
GLO1 Q04760 1/20 0.73
CAMK2A Q9UQM7 1/20 0.73
BACE1 P56817 10/20 0.71
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
TLR9 Q9NR96 1/20 0.69
MMP8 P22894 1/20 0.68
APP P05067 1/20 0.68
MMP9 P14780 1/20 0.64
HSD17B3 P37058 1/20 0.64
MAOA P21397 2/20 0.58
ABCB1 P08183 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 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
SCHEMBL3222739 1.00 MAOB (0.73) MAOBAKR1B1AKR1B10PTGS2GLO1
SCHEMBL5598935 0.93 MMP8 (0.77) MAOBAKR1B1AKR1B10PTGS2GLO1
SCHEMBL5598938 0.93 MMP8 (0.77) MAOBAKR1B1AKR1B10PTGS2GLO1
SCHEMBL24687567 0.87 HSD17B3 (0.69) MAOBAKR1B1AKR1B10PTGS2GLO1
Bisdemethoxycurcumin SCHEMBL2574140 0.86 AKR1B1 (1.00) MAOBAKR1B1AKR1B10PTGS2GLO1
Bisdemethoxycurcumin SCHEMBL428638 0.86 AKR1B1 (1.00) MAOBAKR1B1AKR1B10PTGS2GLO1
SCHEMBL11741168 0.84 MMP9 (0.65) MAOBAKR1B1AKR1B10PTGS2GLO1
SCHEMBL24687571 0.84 MMP8 (0.65) MAOBAKR1B1AKR1B10PTGS2GLO1
Bisdemethoxycurcumin SCHEMBL28163045 0.84 AKR1B1 (0.96) MAOBAKR1B1AKR1B10PTGS2GLO1
SCHEMBL1647372 0.84 BACE1 (1.00) MAOBAKR1B1AKR1B10PTGS2GLO1

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

“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.