Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HLCS | P50747 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28858292 | 0.98 | CYP1A2 (0.46) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL28519305 | 0.93 | CYP1A2 (0.43) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL6332614 | 0.91 | CYP1A2 (0.46) | CYP1A2EPHX1ALDH1A1CYP19A1L3MBTL1 | |
| SCHEMBL6324122 | 0.89 | CYP1A2 (0.48) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL6327995 | 0.89 | CYP1A2 (0.44) | CYP1A2EPHX1ALDH1A1CYP19A1L3MBTL1 | |
| SCHEMBL6325530 | 0.89 | CYP1A2 (0.48) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL6332026 | 0.89 | CYP1A2 (0.48) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL6325406 | 0.87 | CYP1A2 (0.47) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL6326280 | 0.87 | CYP1A2 (0.47) | CYP1A2S1PR2S1PR4S1PR1S1PR3 | |
| SCHEMBL23041063 | 0.85 | CYP1A2 (0.42) | CYP1A2EPHX1ALDH1A1L3MBTL1HLCS |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106853374-A | A kind of 2,6 2 benzal pentylcyclohexanone synthesis techniques as medicine and pesticide intermediate | 徐州诺克非医药科技有限公司 | 2017-06-16 | — | — | CN | disclosed |
| US-8859625-B2 | Methods to prepare penta-1,4-dien-3-ones and substituted cyclohexanones and derivatives with antitumoral and antiparasitic properties, the compounds and their uses | UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) | 2014-10-14 | — | — | US | disclosed |
| US-20100029763-A1 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIVERSIDADE BANDEIRANTE DE SAO PAULO-ACADEMIA, PAULISTA ANCHIETA S/C LTDA (BR) | 2010-02-04 | — | — | US | disclosed |
| EP-2054365-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | Uniban - Universidade Bandeirante De São Paulo (BR) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008003155-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIBAN - UNIVERSIDADE BANDEIRANTE DE SÃO PAULO - ACADEMIA PAULISTA ANCHIETA S/C LTDA (BR) | 2008-01-10 | — | — | WO | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100029763-A1 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | CASP3, CYP8B1, DERA | CYP1A2 71/4885S1PR2 1693/4885S1PR4 1765/4885 |
“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.