Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of O,O'-Dimethylcaffeic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.69 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | JUN | P05412 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| O,O'-Dimethylcaffeic Acid SCHEMBL1659799 | 1.00 | KDM4E (0.71) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| Ferulate SCHEMBL30201785 | 0.87 | CYP2D6 (0.74) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| Ferulate SCHEMBL1276093 | 0.87 | CYP2D6 (0.74) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| SCHEMBL11584522 | 0.86 | KDM4E (0.75) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| SCHEMBL562443 | 0.86 | KDM4E (0.75) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| Ferulate SCHEMBL31338560 | 0.86 | CYP2D6 (0.72) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| Ferulate SCHEMBL22207956 | 0.85 | CYP2D6 (0.77) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| Ferulate SCHEMBL20546258 | 0.85 | CYP2D6 (0.77) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| SCHEMBL2743877 | 0.84 | NFKB1 (0.79) | KDM4EALDH1A1HPGDALOX15MAPK1 | |
| SCHEMBL30493821 | 0.84 | NFKB1 (0.79) | KDM4EALDH1A1HPGDALOX15MAPK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5097825-A | — | — | None | — | — | JP | disclosed |
| EP-2486026-B1 | DERIVATIVES OF DI(PHENYLPROPANOID) GLYCEROL FOR THE TREATMENT OF CANCER | MACGREGOR ALEXANDER (CA) | 2020-06-24 | — | — | EP | disclosed |
| US-10052301-B2 | Derivatives of propane diyl dicinnamate | ORX PHARMACEUTICAL CORPORATION (CA) | 2018-08-21 | — | — | US | disclosed |
| US-20150246014-A1 | Derivatives of Propane Diyl Dicinnamate | ORX PHARMACEUTICAL CORPORATION (CA) | 2015-09-03 | — | — | US | disclosed |
| US-9061993-B2 | Derivatives of propane diyl dicinnamate | Toronto Institute of Pharmaceutical Technology (CA) | 2015-06-23 | — | — | US | disclosed |
| EP-2486026-A1 | DERIVATIVES OF DI(PHENYLPROPANOID) GLYCEROL FOR THE TREATMENT OF CANCER | MacGregor, Alexander (CA) | 2012-08-15 | — | — | EP | disclosed |
| US-20110086912-A1 | Derivatives of Propane Diyl Dicinnamate | MACGREGOR ALEXANDER | 2011-04-14 | — | — | US | disclosed |
| WO-2011041907-A1 | DERIVATIVES OF DI(PHENYLPROPANOID) GLYCEROL FOR THE TREATMENT OF CANCER | MACGREGOR ALEXANDER (CA) | 2011-04-14 | — | — | WO | disclosed |
| JP-H0597825-A | PRODUCTION OF 2-(3,4-DIMETHOXYSTYRYL)-3,1-BENZOXAZIN-4-ONE | KISSEI PHARMACEUT CO LTD | 1993-04-20 | — | — | JP | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150246014-A1 | Derivatives of Propane Diyl Dicinnamate | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 | KDM4E 1830/4885ALDH1A1 405/4885HPGD 363/4885 |
| US-10052301-B2 | Derivatives of propane diyl dicinnamate | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 | KDM4E 1830/4885ALDH1A1 405/4885HPGD 363/4885 |
| US-20110086912-A1 | Derivatives of Propane Diyl Dicinnamate | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 | KDM4E 1786/4885ALDH1A1 440/4885HPGD 284/4885 |
“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.