Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.92 |
| ▸ | F3 | P13726 | 2/20 | 0.92 |
| ▸ | MGAM | O43451 | 3/20 | 0.73 |
| ▸ | GAA | P10253 | 3/20 | 0.73 |
| ▸ | SI | P14410 | 3/20 | 0.73 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.73 |
| ▸ | HTT | P42858 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 5/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | MIF | P14174 | 1/20 | 0.66 |
| ▸ | EGFR | P00533 | 1/20 | 0.63 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3263387 | 1.00 | CYP1A2 (0.92) | CYP1A2F3MGAMGAASI | |
| SCHEMBL11789316 | 0.98 | CYP1A2 (0.88) | CYP1A2F3MGAMGAASI | |
| SCHEMBL11789309 | 0.98 | CYP1A2 (0.88) | CYP1A2F3MGAMGAASI | |
| 2,6-Dibenzylidenecyclohexanone SCHEMBL12948726 | 0.96 | CYP1A2 (1.00) | CYP1A2F3MGAMGAASI | |
| 2,6-Dibenzylidenecyclohexanone SCHEMBL977260 | 0.96 | CYP1A2 (1.00) | CYP1A2F3MGAMGAASI | |
| 2,6-Dibenzylidenecyclohexanone SCHEMBL977261 | 0.96 | CYP1A2 (1.00) | CYP1A2F3MGAMGAASI | |
| 2,6-Dibenzylidenecyclohexanone SCHEMBL11732505 | 0.94 | CYP1A2 (0.96) | CYP1A2F3MGAMGAASI | |
| 2,6-Dibenzylidenecyclohexanone SCHEMBL11732500 | 0.94 | CYP1A2 (0.96) | CYP1A2F3MGAMGAASI | |
| SCHEMBL23633272 | 0.91 | CYP1A2 (1.00) | CYP1A2F3MGAMGAASI | |
| SCHEMBL12948629 | 0.91 | CYP1A2 (1.00) | CYP1A2F3MGAMGAASI |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-2054365-B1 | 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 S O PAULO (BR) | 2014-09-24 | — | — | EP | 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 |
| US-3960848-A | CENTRAL NERVOUS SYSTEM DEPRESSANT | E. R. SQUIBB & SONS, INC. (US) | 1976-06-01 | — | — | US | 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 71/4885F3 2344/4885MGAM 2219/4885 |
“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.