Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CASP9 | P55211 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4416482 | 0.85 | CASP3 (0.46) | CASP3CASP7CASP9ALDH1A1HPGD | |
| SCHEMBL4421619 | 0.81 | CASP3 (0.54) | CASP3CASP7CASP9NLRP3ALDH1A1 | |
| SCHEMBL4689617 | 0.80 | AAK1 (0.44) | ALDH1A1HPGDAAK1CDC25BLMNA | |
| SCHEMBL593474 | 0.80 | AAK1 (0.47) | AAK1CDC25BMAPTCYP2D6 | |
| SCHEMBL593957 | 0.80 | AAK1 (0.47) | AAK1CDC25BMAPTCYP2D6 | |
| SCHEMBL6279532 | 0.80 | BRD4 (0.48) | AAK1CYP2D6NPC1 | |
| SCHEMBL592972 | 0.80 | AAK1 (0.47) | AAK1CDC25BMAPTCYP2D6 | |
| SCHEMBL7501276 | 0.80 | AAK1 (0.47) | AAK1CDC25BLMNAMAPTCYP2D6 | |
| SCHEMBL18593710 | 0.77 | AAK1 (0.43) | ALDH1A1HPGDAAK1CDC25BLMNA | |
| SCHEMBL4855183 | 0.77 | ESR1 (0.51) | NLRP3ALDH1A1AAK1MAPK1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7495001-B2 | Benzannelated derivatives, their manufacture and use as pharmaceutical agents | HOFFMANN-LA ROCHE INC. (US) | 2009-02-24 | — | — | US | disclosed |
| EP-1682507-A1 | BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005049572-A1 | BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-02 | — | — | WO | disclosed |
| US-20050096336-A1 | Benzannelated derivatives, their manufacture and use as pharmaceutical agents | HOFFMANN-LA ROCHE INC. | 2005-05-05 | — | — | 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-20050096336-A1 | Benzannelated derivatives, their manufacture and use as pharmaceutical agents | PPARD, PPARA, PPARG | CASP3 718/4885CASP7 1348/4885CASP9 1022/4885 |
“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.