Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mequinol. 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 | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.64 |
| ▸ | LTA4H | P09960 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.59 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.59 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 2/20 | 0.57 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | P4HB | P07237 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | F3 | P13726 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Mequinol SCHEMBL11616999 | 0.85 | ESR2 (0.76) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL166535 | 0.85 | ESR2 (0.84) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL21009 | 0.85 | — | — | |
| 1,4-Dimethoxybenzene SCHEMBL8351066 | 0.85 | ESR2 (0.84) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL1535640 | 0.85 | ESR2 (0.84) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL9152719 | 0.83 | ESR2 (0.73) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL16338066 | 0.83 | ESR2 (0.80) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL28811337 | 0.83 | ESR2 (0.80) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL20696082 | 0.83 | ESR2 (0.80) | ESR2LTA4HCA1CA2GAA | |
| Mequinol SCHEMBL2424246 | 0.83 | ESR2 (0.80) | ESR2LTA4HCA1CA2GAA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102133407-A | Conjugates of therapeutic or cytotoxic agents and biologically active peptides | UNIV TULANE | 2011-07-27 | — | — | CN | disclosed |
| US-7771727-B2 | Conjugates of therapeutic or cytotoxic agents and biologically active peptides | THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 2010-08-10 | — | — | US | disclosed |
| EP-1487493-B1 | CONJUGATES OF CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES | UNIV TULANE (US) | 2010-01-20 | — | — | EP | disclosed |
| US-20090324620-A1 | CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES | THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 2009-12-31 | — | — | US | disclosed |
| EP-1487493-A4 | CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES | UNIV TULANE (US) | 2006-08-30 | — | — | EP | disclosed |
| US-20060009622-A1 | Conjugates of therapeutic or cytotoxic agents and biologically active peptides | ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE | 2006-01-12 | — | — | US | disclosed |
| CN-1649625-A | Conjugates of therapeutic or cytotoxic agents and biologically active peptides | UNIV TULANE (US) | 2005-08-03 | — | — | CN | disclosed |
| EP-1487493-A2 | CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES | The Administrators of The Tulane Educational Fund (US) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003074551-A2 | CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES | THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) | 2003-09-12 | — | — | WO | disclosed |
| EP-0296811-A3 | CARBAMATES OF 4-HYDROXYANISOLE AS PRODRUGS FOR CHEMOTHERAPY OF MELANOMA | MERCK & CO. INC. (US) | 1990-03-21 | — | — | EP | disclosed |
| EP-0296811-A3 | CARBAMATES OF 4-HYDROXYANISOLE AS PRODRUGS FOR CHEMOTHERAPY OF MELANOMA | MERCK & CO. INC. (US) | 1990-03-21 | — | — | EP | disclosed |
| US-4812590-A | Carbamates of 4-hydroxyanisole as prodrugs for chemotherapy of melanoma | MERCK & CO., INC. (US) | 1989-03-14 | — | — | US | disclosed |
| EP-0296811-A2 | Carbamates of 4-hydroxyanisole as prodrugs for chemotherapy of melanoma | MERCK & CO. INC. (US) | 1988-12-28 | — | — | EP | disclosed |
| EP-0296811-A2 | Carbamates of 4-hydroxyanisole as prodrugs for chemotherapy of melanoma | MERCK & CO. INC. (US) | 1988-12-28 | — | — | EP | 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-20090324620-A1 | CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES | MCL1, DNPEP, TP53 | ESR2 2978/4885LTA4H 2499/4885CA1 604/4885 |
| US-20060009622-A1 | Conjugates of therapeutic or cytotoxic agents and biologically active peptides | MCL1, DNPEP, TP53 | ESR2 2978/4885LTA4H 2499/4885CA1 604/4885 |
“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.