Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.57 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA2 | P00918 | 6/20 | 0.57 |
| ▸ | CA7 | P43166 | 6/20 | 0.57 |
| ▸ | CA9 | Q16790 | 6/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.57 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.57 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 3/20 | 0.51 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3430275 | 0.84 | ALDH1A1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23540820 | 0.83 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL730222 | 0.83 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4468280 | 0.83 | NR4A2 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28691240 | 0.81 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL311797 | 0.81 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28592242 | 0.80 | CDK4 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4584978 | 0.80 | CDK4 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27089374 | 0.80 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5703731 | 0.79 | CDK4 (0.43) | CA12CA1CA2CA7CA9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050215594-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-09-29 | — | — | US | disclosed |
| US-6919371-B2 | 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-07-19 | — | — | US | disclosed |
| EP-1389202-B1 | 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS | BAYER PHARMACEUTICALS CORP (US) | 2004-09-29 | — | — | EP | disclosed |
| US-20040072828-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2004-04-15 | — | — | US | disclosed |
| EP-1389202-A1 | 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS | Bayer Pharmaceuticals Corporation (US) | 2004-02-18 | — | — | EP | disclosed |
| US-6660752-B2 | Adrenergic blocking agents | BAYER PHARMACEUTICALS CORPORATION | 2003-12-09 | — | — | US | disclosed |
| US-20030078260-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | BAYER PHARMACEUTICALS CORPORATION | 2003-04-24 | — | — | US | disclosed |
| WO-2002085891-A1 | 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS | BAYER PHARMACEUTICALS CORPORATION (US) | 2002-10-31 | — | — | 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 (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-20050215594-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | ADRB3, ADRB2, ADRB1 | CA12 3758/4885CA1 3730/4885CA2 1583/4885 |
| US-20040072828-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | ADRB3, ADRB2, ADRB1 | CA12 3758/4885CA1 3730/4885CA2 1583/4885 |
| US-20030078260-A1 | 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists | ADRB3, ADRB2, ADRB1 | CA12 3758/4885CA1 3730/4885CA2 1583/4885 |
“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.