Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aus-131. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 7/20 | 0.83 |
| ▸ | ESR1 | P03372 | 5/20 | 0.83 |
| ▸ | TTR | P02766 | 1/20 | 0.83 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.63 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.63 |
| ▸ | ALOX15B | O15296 | 3/20 | 0.63 |
| ▸ | RARA | P10276 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 1/20 | 0.48 |
| ▸ | RARG | P13631 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| Aus-131 SCHEMBL43648 | 0.91 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL677723 | 0.91 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL43647 | 0.91 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL29467332 | 0.91 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL2002128 | 0.91 | ESR2 (1.00) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL19861143 | 0.86 | ESR2 (0.83) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL17679253 | 0.86 | ESR2 (0.83) | ESR2ESR1TTRALOX15ALOX12 | |
| SCHEMBL31545730 | 0.86 | ESR2 (0.83) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL936521 | 0.84 | ESR2 (0.75) | ESR2ESR1TTRALOX15ALOX12 | |
| Aus-131 SCHEMBL29005768 | 0.84 | ESR2 (0.79) | ESR2ESR1TTRALOX15ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3191464-B1 | SYNTHESIS OF ISOFLAVANES AND INTERMEDIATES THEREOF | SYSTEM BIOLOGIE AG (CH) | 2019-11-06 | — | — | EP | disclosed |
| CN-106795135-B | Synthesis of isoflavanes and intermediates thereof | 系统生物股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| US-10030003-B2 | Synthesis of isoflavanes and intermediates thereof | SYSTEM BIOLOGIE AG (CH) | 2018-07-24 | — | — | US | disclosed |
| US-20170283389-A1 | Synthesis of Isoflavanes and Intermediates Thereof | SYSTEM BIOLOGIE AG (CH) | 2017-10-05 | — | — | US | disclosed |
| EP-3191464-A1 | SYNTHESIS OF ISOFLAVANES AND INTERMEDIATES THEREOF | System Biologie AG (CH) | 2017-07-19 | — | — | EP | disclosed |
| CN-106795135-A | Synthesis of isoflavanes and intermediates thereof | 系统生物股份有限公司 | 2017-05-31 | — | — | CN | disclosed |
| WO-2016038061-A1 | SYNTHESIS OF ISOFLAVANES AND INTERMEDIATES THEREOF | SYSTEM BIOLOGIE AG (CH) | 2016-03-17 | — | — | 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-10030003-B2 | Synthesis of isoflavanes and intermediates thereof | CYP4B1, CYP51A1, CYP4A11 | ESR2 311/4885ESR1 186/4885TTR 4347/4885 |
| US-20170283389-A1 | Synthesis of Isoflavanes and Intermediates Thereof | CYP4B1, CYP51A1, CYP4A11 | ESR2 311/4885ESR1 186/4885TTR 4347/4885 |
“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.