Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Pentachlorophenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Pentachlorophenol SCHEMBL18114673 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Pentachlorophenol SCHEMBL20267956 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Pentachlorophenol SCHEMBL301602 | 0.94 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Lindane SCHEMBL2785151 | 0.89 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acrylic Acid SCHEMBL27722481 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acrylic Acid SCHEMBL18114676 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acrylic Acid SCHEMBL498770 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Pentachlorophenol SCHEMBL10587904 | 0.84 | CYP1A2 (0.35) | — | |
| Pentachlorophenol SCHEMBL21381899 | 0.84 | ALDH1A1 (0.33) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Pentachlorophenol SCHEMBL1702812 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140148526-A1 | DENTAL BONDING AGENT AND COATING AGENT | NATIONAL TAIWAN UNIVERSITY (TW) | 2014-05-29 | — | — | US | claimed |
| US-8426491-B2 | Dental compositions for coating restorations and tooth surfaces | DENTSPLY INTERNATIONAL INC. (US) | 2013-04-23 | — | — | US | claimed |
| EP-3328342-B1 | DENTAL ADHESIVE | DENTSPLY DETREY GMBH (DE) | 2025-01-29 | — | — | EP | disclosed |
| EP-3555110-B1 | DENTAL COMPOSITION | DENTSPLY DETREY GMBH (DE) | 2021-11-17 | — | — | EP | disclosed |
| US-10548817-B2 | Dental adhesive | DENTSPLY SIRONA INC. (US) | 2020-02-04 | — | — | US | disclosed |
| US-20180221249-A1 | DENTAL ADHESIVE | DENTSPLY SIRONA INC. (US) | 2018-08-09 | — | — | US | disclosed |
| EP-3328342-A1 | DENTAL ADHESIVE | Dentsply DeTrey GmbH (DE) | 2018-06-06 | — | — | EP | disclosed |
| WO-2017017155-A1 | DENTAL ADHESIVE | DENTSPLY DETREY GMBH (DE) | 2017-02-02 | — | — | WO | disclosed |
| EP-3124009-A1 | DENTAL ADHESIVE | DENTSPLY DETREY GmbH (DE) | 2017-02-01 | — | — | EP | disclosed |
| US-8987345-B2 | Dental bonding agent and coating agent | NATIONAL TAIWAN UNIVERSITY (TW) | 2015-03-24 | — | — | US | disclosed |
| EP-1874263-B1 | ORAL CARE COMPOSITIONS, REGIMENS AND DEVICES | PROCTER & GAMBLE (US) | 2014-12-31 | — | — | EP | disclosed |
| US-20140148526-A1 | DENTAL BONDING AGENT AND COATING AGENT | NATIONAL TAIWAN UNIVERSITY (TW) | 2014-05-29 | — | — | US | disclosed |
| WO-2011080573-A2 | ENDODONTIC CEMENT WITH HIGH BIOACTIVITY | ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA (IT) | 2011-07-07 | — | — | WO | disclosed |
| EP-1874263-A1 | ORAL CARE COMPOSITIONS, REGIMENS AND DEVICES | The Procter and Gamble Company (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006118880-A1 | ORAL CARE COMPOSITIONS, REGIMENS AND DEVICES | THE PROCTER & GAMBLE COMPANY (US) | 2006-11-09 | — | — | WO | disclosed |
| US-20060246401-A1 | Oral care compositions, regimens and device | THE PROCTER & GAMBLE COMPANY (US) | 2006-11-02 | — | — | US | disclosed |
| EP-1024778-B1 | PROTECTIVE VARNISH FOR DENTIN | DENTSPLY INT INC (US) | 2003-09-17 | — | — | EP | disclosed |
| US-20010009931-A1 | Protective varnish for dentin | PFLUG KAI (DE) | 2001-07-26 | — | — | US | disclosed |
| EP-1024778-A1 | PROTECTIVE VARNISH FOR DENTIN | DENTSPLY INTERNATIONAL, INC. (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999020227-A1 | PROTECTIVE VARNISH FOR DENTIN | DENTSPLY INTERNATIONAL INC. (US) | 1999-04-29 | — | — | 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-10548817-B2 | Dental adhesive | CDH1, F12, ITGA8 | ALDH1A1 119/4885TP53 4347/4885CYP3A4 1487/4885 |
| US-20180221249-A1 | DENTAL ADHESIVE | CDH1, F12, ITGA8 | ALDH1A1 119/4885TP53 4347/4885CYP3A4 1487/4885 |
| US-20140148526-A1 | DENTAL BONDING AGENT AND COATING AGENT | PHOSPHO1, PDAP1, ITGA4 | ALDH1A1 1428/4885TP53 2714/4885CYP3A4 4696/4885 |
“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.