SCHEMBL3221765

SCHEMBL3221765

Nc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.81
MAOB P27338 2/20 0.81
AKR1B10 O60218 2/20 0.81
PTGS2 P35354 1/20 0.81
GLO1 Q04760 1/20 0.81
CAMK2A Q9UQM7 1/20 0.81
APP P05067 1/20 0.64
BACE1 P56817 13/20 0.63
ABCB1 P08183 1/20 0.59
MAOA P21397 1/20 0.59
TYR P14679 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
F3 P13726 1/20 0.57
HSD11B1 P28845 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ESR1 P03372 1/20 0.55
CA3 P07451 1/20 0.55

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
SCHEMBL3221774 1.00 AKR1B1 (0.81) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL17485384 0.92 AKR1B1 (0.67) AKR1B1MAOBAKR1B10PTGS2GLO1
Bisdemethoxycurcumin SCHEMBL2574140 0.90 AKR1B1 (1.00) AKR1B1MAOBAKR1B10PTGS2GLO1
Bisdemethoxycurcumin SCHEMBL428638 0.90 AKR1B1 (1.00) AKR1B1MAOBAKR1B10PTGS2GLO1
Bisdemethoxycurcumin SCHEMBL28163045 0.88 AKR1B1 (0.96) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL8467123 0.85 AKR1B1 (0.81) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL16702807 0.83 AKR1B1 (0.85) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL16702808 0.83 AKR1B1 (0.85) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL23728363 0.81 AKR1B1 (0.81) AKR1B1MAOBAKR1B10PTGS2GLO1
SCHEMBL12469737 0.81 AKR1B1 (0.81) AKR1B1MAOBAKR1B10PTGS2GLO1

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 AKR1B1 1096/4885MAOB 969/4885AKR1B10 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.