Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Phenol. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 8/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL964056 | 1.00 | ESR1 (0.50) | ESR1GLACA12CA1CA2 | |
| Phenol SCHEMBL11173099 | 0.89 | GLA (0.58) | ESR1GLACA12CA1CA2 | |
| Phenol SCHEMBL5875174 | 0.89 | GLA (0.58) | ESR1GLACA12CA1CA2 | |
| Phenol SCHEMBL10693914 | 0.87 | GLA (0.55) | ESR1GLACA12CA1CA2 | |
| Phenol SCHEMBL28128844 | 0.87 | GLA (0.55) | ESR1GLACA12CA1CA2 | |
| Phenol SCHEMBL9767471 | 0.85 | CA12 (0.52) | ESR1GLACA12CA1CA2 | |
| Toluene SCHEMBL28762260 | 0.83 | TSHR (0.46) | GLACA12CA9CHRM2CHRM4 | |
| Phenol SCHEMBL29228930 | 0.83 | CA12 (0.50) | ESR1GLACA12CA1CA2 | |
| Naphthalene SCHEMBL15912635 | 0.83 | MEN1 (0.41) | ESR1GLAALDH1A1KDM4EMAPT | |
| Phenol SCHEMBL28250922 | 0.82 | CA12 (0.55) | ESR1GLACA12CA1CA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8435973-B2 | 17-beta HSD1 and STS inhibitors | ABBOTT PRODUCTS GMBH (DE) | 2013-05-07 | — | — | US | disclosed |
| EP-1888615-B1 | 17 -HSD1 AND STS INHIBITORS | ABBOTT PRODUCTS GMBH (DE) | 2012-05-16 | — | — | EP | disclosed |
| US-8030298-B2 | 17β-HSD1 and STS inhibitors | ABBOTT PRODUCTS GMBH (DE) | 2011-10-04 | — | — | US | disclosed |
| US-20110021480-A1 | 17-beta HSD1 and STS Inhibitors | SOLVAY PHARMACEUTICALS GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| EP-1888615-A1 | 17 -HSD1 AND STS INHIBITORS | Solvay Pharmaceuticals GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| US-20060281710-A1 | 17SS-HSD1 and STS inhibitors | SOLVAY PHARMACEUTICALS GMBH | 2006-12-14 | — | — | US | disclosed |
| WO-2006125800-A1 | 17β-HSD1 AND STS INHIBITORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2006-11-30 | — | — | 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 (2 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-20060281710-A1 | 17SS-HSD1 and STS inhibitors | HSD17B11, HSD17B1, STS | CHRM2 4837/4885CHRM1 4608/4885CHRM3 4714/4885 |
| US-20110021480-A1 | 17-beta HSD1 and STS Inhibitors | STS, HSD17B11, HSD17B1 | CHRM2 4697/4885CHRM1 4235/4885CHRM3 4525/4885 |
“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.