Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estrone. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.81 |
| ▸ | STS | P08842 | 10/20 | 0.81 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.81 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.81 |
| ▸ | LMNA | P02545 | 2/20 | 0.81 |
| ▸ | MAPT | P10636 | 2/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.81 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.81 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.81 |
| ▸ | SHBG | P04278 | 1/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.81 |
| ▸ | PGR | P06401 | 1/20 | 0.81 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.81 |
| ▸ | AR | P10275 | 1/20 | 0.81 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.81 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.81 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.81 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.81 |
| ▸ | SNCA | P37840 | 1/20 | 0.81 |
| ▸ | HTR2B | P41595 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Estrone SCHEMBL22847 | 0.92 | STS (0.91) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL6693553 | 0.92 | STS (0.91) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL8901907 | 0.91 | STS (0.89) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL669802 | 0.91 | STS (0.89) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL22551313 | 0.91 | STS (0.89) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL628643 | 0.90 | STS (0.87) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL12054811 | 0.90 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL7831317 | 0.90 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL15079288 | 0.90 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT | |
| Estrone SCHEMBL157262 | 0.90 | CYP19A1 (1.00) | STSHSD17B1CYP19A1LMNAMAPT |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117324042-A | Catalytic system for deoxidizing phenolic derivative, and mild and efficient deoxidizing method and application thereof | 中国科学院长春应用化学研究所 | 2024-01-02 | — | — | CN | disclosed |
| US-11072632-B2 | Inhibitors of 17β-HSD1, 17β-HSD3 and 17β-HSD10 | UNIVERSITé LAVAL (CA) | 2021-07-27 | — | — | US | disclosed |
| EP-2688901-B1 | INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 | UNIV LAVAL (CA) | 2019-05-08 | — | — | EP | disclosed |
| EP-2774923-B1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE | UNIV NAGOYA NAT UNIV CORP (JP) | 2016-05-18 | — | — | EP | disclosed |
| US-8993777-B2 | Method for producing phenyl-substituted heterocyclic derivative | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2015-03-31 | — | — | US | disclosed |
| US-20140275549-A1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2014-09-18 | — | — | US | disclosed |
| EP-2774923-A1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE | National University Corporation Nagoya University (JP) | 2014-09-10 | — | — | EP | disclosed |
| US-8754251-B2 | Cyclopropyl PIDA boronate | RIGEL PHARMACEUTICALS, INC. (US) | 2014-06-17 | — | — | US | disclosed |
| US-20140088053-A1 | INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 | UNIVERSITé LAVAL (CA) | 2014-03-27 | — | — | US | disclosed |
| EP-2688901-A1 | INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 | Université Laval (CA) | 2014-01-29 | — | — | EP | disclosed |
| US-20130331585-A1 | CYCLOPROPYL PIDA BORONATE | MIDCAP FINANCIAL TRUST | 2013-12-12 | — | — | US | disclosed |
| US-8288367-B2 | Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one | SOLVAY PHARMACEUTICALS GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| WO-2012129673-A1 | INHIBITORS OF 17ß-HSD1, 17ß-HSD3 AND 17ß-HSD10 | UNIVERSITE LAVAL (CA) | 2012-10-04 | — | — | WO | disclosed |
| EP-2099814-A1 | SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS | Solvay Pharmaceuticals GmbH (DE) | 2009-09-16 | — | — | EP | disclosed |
| US-20080255075-A1 | SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008065100-A1 | SUBSTITUTED ESTRATRIEN DERIVATIVES AS 17BETA HSD INHIBITORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-06-05 | — | — | 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 (5 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-20080255075-A1 | SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS | HSD17B11, HSD17B1, HSD17B2 | ESR1 113/4885STS 33/4885HSD17B1 2/4885 |
| US-20130331585-A1 | CYCLOPROPYL PIDA BORONATE | PPIA, CDA, BCL6B | ESR1 188/4885STS 3165/4885HSD17B1 172/4885 |
| US-20140275549-A1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE | PAH, DDT, NISCH | ESR1 1602/4885STS 555/4885HSD17B1 1223/4885 |
| US-11072632-B2 | Inhibitors of 17β-HSD1, 17β-HSD3 and 17β-HSD10 | HSD17B11, HSD17B3, HSD17B1 | ESR1 72/4885STS 25/4885HSD17B1 3/4885 |
| US-20140088053-A1 | INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 | HSD17B11, HSD17B1, HSD17B3 | ESR1 164/4885STS 26/4885HSD17B1 2/4885 |
“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.