SCHEMBL3198194

SCHEMBL3198194

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cccnc1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.57
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
MAOB P27338 1/20 0.48
PTGS2 P35354 1/20 0.48
GLO1 Q04760 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
SCN9A Q15858 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3198226 1.00 BACE1 (0.57) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3214714 0.91 CYP1A2 (0.51) BACE1SCN9ACYP1A2CYP2C9
SCHEMBL3214644 0.91 CYP1A2 (0.51) BACE1SCN9ACYP1A2CYP2C9
SCHEMBL3207918 0.83 BACE1 (0.53) BACE1
SCHEMBL3207945 0.83 BACE1 (0.53) BACE1
SCHEMBL3212800 0.82 BACE1 (0.54) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3212788 0.82 BACE1 (0.54) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3778174 0.80 CYP1A2 (0.49) MAOBSCN9ACYP1A2CYP2C9
SCHEMBL3778169 0.80 CYP1A2 (0.49) MAOBSCN9ACYP1A2CYP2C9
SCHEMBL3212472 0.78 AKR1B10 (0.54) BACE1AKR1B10AKR1B1MAOBPTGS2

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 1/4885AKR1B10 1428/4885AKR1B1 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.