SCHEMBL3214875

SCHEMBL3214875

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.69
MAOB P27338 3/20 0.69
PTGS2 P35354 2/20 0.69
GLO1 Q04760 2/20 0.69
CAMK2A Q9UQM7 2/20 0.69
AKR1B10 O60218 1/20 0.69
BACE1 P56817 15/20 0.68
ABCB1 P08183 2/20 0.63
MAOA P21397 2/20 0.63
SNCA P37840 2/20 0.56
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
APP P05067 2/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
PTGES O14684 1/20 0.54
HDAC3 O15379 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
SCHEMBL3214862 1.00 AKR1B1 (0.69) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL17691544 0.94 BACE1 (0.62) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL3219193 0.89 AKR1B1 (0.71) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL3219204 0.89 AKR1B1 (0.71) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL3671201 0.85 AKR1B1 (0.76) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL3671196 0.85 AKR1B1 (0.76) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL29565303 0.85 AKR1B1 (0.76) AKR1B1MAOBPTGS2GLO1CAMK2A
Bisdemethoxycurcumin SCHEMBL428638 0.83 AKR1B1 (1.00) AKR1B1MAOBPTGS2GLO1CAMK2A
Bisdemethoxycurcumin SCHEMBL2574140 0.83 AKR1B1 (1.00) AKR1B1MAOBPTGS2GLO1CAMK2A
SCHEMBL3212596 0.81 BACE1 (0.85) AKR1B1MAOBPTGS2GLO1CAMK2A

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 969/4885PTGS2 1089/4885

“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.