SCHEMBL3220745

SCHEMBL3220745

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(C)C)cc2OC)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.82
MMP9 P14780 3/20 0.80
APP P05067 8/20 0.75
MAPT P10636 8/20 0.75
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
TSHR P16473 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ABCB1 P08183 2/20 0.70
AKR1B1 P15121 2/20 0.70
MAOA P21397 2/20 0.70
MAOB P27338 2/20 0.70
CYP2C19 P33261 1/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
PTGES O14684 1/20 0.70
HDAC3 O15379 1/20 0.70
CA12 O43570 1/20 0.70
DYRK3 O43781 1/20 0.70
PLIN1 O60240 1/20 0.70

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
SCHEMBL3220767 1.00 BACE1 (0.82) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3225132 0.91 BACE1 (0.82) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3225107 0.91 BACE1 (0.82) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3222143 0.90 BACE1 (1.00) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3222164 0.90 BACE1 (1.00) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3210968 0.89 MMP9 (1.00) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3210945 0.89 MMP9 (1.00) BACE1MMP9APPMAPTCYP2D6
SCHEMBL3207902 0.88 BACE1 (1.00) BACE1MMP9APPMAPTABCB1
SCHEMBL3207911 0.88 BACE1 (1.00) BACE1MMP9APPMAPTABCB1
SCHEMBL3212560 0.88 BACE1 (0.81) BACE1MMP9APPMAPTMEN1

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 1/4885MMP9 601/4885APP 2/4885

“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.