SCHEMBL3222988

SCHEMBL3222988

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc3c(c2)OCCO3)ccc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.87
▸ APP P05067 10/20 0.87
▸ BACE1 P56817 3/20 0.74
▸ NFKB1 P19838 3/20 0.74
▸ MMP9 P14780 3/20 0.74
▸ CYP2D6 P10635 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ TSHR P16473 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ ALDH1A1 P00352 2/20 0.74
▸ GAA P10253 2/20 0.74
▸ HPGD P15428 2/20 0.74
▸ ABCB1 P08183 2/20 0.74
▸ AKR1B1 P15121 2/20 0.74
▸ MAOA P21397 2/20 0.74
▸ MAOB P27338 2/20 0.74
▸ HDAC3 O15379 2/20 0.74
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC2 Q92769 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74

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
SCHEMBL3223017 1.00 MAPT (0.87) MAPTAPPBACE1NFKB1MMP9
SCHEMBL3220601 0.93 MAPT (1.00) MAPTAPPBACE1NFKB1MMP9
SCHEMBL3220571 0.93 MAPT (1.00) MAPTAPPBACE1NFKB1MMP9
SCHEMBL3211828 0.91 MAPT (0.71) MAPTAPPBACE1NFKB1MMP9
SCHEMBL3211852 0.91 MAPT (0.71) MAPTAPPBACE1NFKB1MMP9
Curcumin SCHEMBL29113221 0.87 APP (0.86) MAPTAPPBACE1NFKB1MMP9
Curcumin SCHEMBL16093745 0.87 APP (0.97) MAPTAPPBACE1NFKB1MMP9
Curcumin SCHEMBL28275437 0.87 APP (0.97) MAPTAPPBACE1NFKB1MMP9
Curcumin SCHEMBL16093744 0.87 APP (0.97) MAPTAPPBACE1NFKB1MMP9
Curcumin SCHEMBL29245639 0.86 APP (0.84) MAPTAPPBACE1NFKB1MMP9

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 MAPT 8/4885APP 2/4885BACE1 1/4885

“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.

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