SCHEMBL3197932

SCHEMBL3197932

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.80
AKR1B1 P15121 2/20 0.71
MAOB P27338 2/20 0.71
AKR1B10 O60218 1/20 0.71
PTGS2 P35354 1/20 0.71
GLO1 Q04760 1/20 0.71
CAMK2A Q9UQM7 1/20 0.71
PYGL P06737 6/20 0.60
GUSB P08236 1/20 0.58
ABCB1 P08183 1/20 0.57
MAOA P21397 1/20 0.57

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
SCHEMBL3197944 1.00 BACE1 (0.80) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3221692 0.89 BACE1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3221705 0.89 BACE1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
Bisdemethoxycurcumin SCHEMBL2574140 0.84 AKR1B1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
Bisdemethoxycurcumin SCHEMBL428638 0.84 AKR1B1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL30749650 0.82 NQO2 (0.57) BACE1AKR1B1MAOBPTGS2GUSB
Bisdemethoxycurcumin SCHEMBL28163045 0.82 AKR1B1 (0.96) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3200518 0.82 AKR1B1 (0.73) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3200498 0.82 AKR1B1 (0.73) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1647312 0.82 BACE1 (0.74) BACE1AKR1B1MAOBAKR1B10PTGS2

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 1/4885AKR1B1 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.