SCHEMBL3204616

SCHEMBL3204616

O=C(C=Cc1ccc(O)c(Cl)c1)CC(=O)CCc1ccc(O)cc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.74
AKR1B1 P15121 2/20 0.50
MAOB P27338 2/20 0.50
AKR1B10 O60218 1/20 0.50
PTGS2 P35354 1/20 0.50
GLO1 Q04760 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
ABCB1 P08183 1/20 0.49
MAOA P21397 1/20 0.49
HDAC8 Q9BY41 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
SCHEMBL3204597 1.00 BACE1 (0.74) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3221705 0.86 BACE1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1573466 0.86 AKR1B10 (0.69) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3221692 0.86 BACE1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1573468 0.86 AKR1B10 (0.69) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3223964 0.83 BACE1 (0.88) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3223975 0.83 BACE1 (0.88) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL17019815 0.82 ABCB1 (0.76) BACE1AKR1B1MAOBPTGS2GLO1
SCHEMBL1645491 0.80 BACE1 (1.00) BACE1
SCHEMBL1645494 0.80 BACE1 (1.00) BACE1

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.