SCHEMBL3208442

SCHEMBL3208442

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.83
APP P05067 9/20 0.72
MAPT P10636 9/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
TSHR P16473 2/20 0.72
HSD17B10 Q99714 2/20 0.72
ABCB1 P08183 2/20 0.72
AKR1B1 P15121 2/20 0.72
MAOA P21397 2/20 0.72
MAOB P27338 2/20 0.72
CYP2C19 P33261 1/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
PTGES O14684 1/20 0.72
HDAC3 O15379 1/20 0.72
CA12 O43570 1/20 0.72
DYRK3 O43781 1/20 0.72
PLIN1 O60240 1/20 0.72
KDM1A O60341 1/20 0.72

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
SCHEMBL3208456 1.00 BACE1 (0.83) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3223836 0.91 BACE1 (0.83) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3223851 0.91 BACE1 (0.83) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3218683 0.91 APP (0.72) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL1646374 0.91 BACE1 (1.00) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3218697 0.91 APP (0.72) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL1646372 0.91 BACE1 (1.00) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3220833 0.88 APP (0.84) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3220819 0.88 APP (0.84) BACE1APPMAPTCYP2D6CYP2C9
SCHEMBL3215550 0.87 BACE1 (0.71) BACE1APPMAPTCYP2D6CYP2C9

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 1/4885APP 2/4885MAPT 8/4885

“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.