Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 7/20 | 0.70 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.70 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | ESR1 | P03372 | 2/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.70 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.70 |
| ▸ | SHBG | P04278 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | PGR | P06401 | 1/20 | 0.70 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.70 |
| ▸ | AR | P10275 | 1/20 | 0.70 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.70 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.70 |
| ▸ | SNCA | P37840 | 1/20 | 0.70 |
| ▸ | HTR2B | P41595 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL14079692 | 1.00 | STS (0.70) | STSCYP19A1HSD17B1LMNAMAPT | |
| SCHEMBL10031984 | 1.00 | STS (0.70) | STSCYP19A1HSD17B1LMNAMAPT | |
| SCHEMBL29539187 | 1.00 | STS (0.70) | STSCYP19A1HSD17B1LMNAMAPT | |
| SCHEMBL5677682 | 1.00 | STS (0.70) | STSCYP19A1HSD17B1LMNAMAPT | |
| SCHEMBL30958754 | 0.99 | STS (0.69) | STSCYP19A1HSD17B1LMNAMAPT | |
| Sulfuric Acid SCHEMBL29798778 | 0.94 | STS (0.67) | STSCYP19A1HSD17B1LMNAMAPT | |
| Piperazine SCHEMBL2818721 | 0.94 | CYP3A4 (0.64) | STSCYP19A1HSD17B1LMNAMAPT | |
| Sulfuric Acid SCHEMBL28338435 | 0.94 | STS (0.67) | STSCYP19A1HSD17B1LMNAMAPT | |
| SCHEMBL14513802 | 0.92 | HSD17B1 (0.72) | STSCYP19A1HSD17B1LMNAMAPT | |
| SCHEMBL17499964 | 0.89 | STS (0.57) | STSCYP19A1HSD17B1LMNAMAPT |
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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2744771-B1 | C-HALOGEN BOND FORMATION | UNIV PRINCETON (US) | 2020-10-21 | — | — | EP | claimed |
| US-20200190012-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2020-06-18 | — | — | US | claimed |
| CN-110590896-A | Preparation method of estrone sulfate piperazine | 上海高准医药有限公司 | 2019-12-20 | — | — | CN | claimed |
| US-20190127311-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-05-02 | — | — | US | claimed |
| US-10196341-B2 | C-halogen bond formation | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-02-05 | — | — | US | claimed |
| WO-2015134467-A1 | METHODS AND COMPOSITIONS FOR DIRECT RADIOACTIVE LABELING OF BIO-ACTIVE MOLECULES AND BUILDING BLOCKS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2015-09-11 | — | — | WO | claimed |
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-09-04 | — | — | US | claimed |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | US | claimed |
| EP-2744771-A1 | C-HALOGEN BOND FORMATION | The Trustees of Princeton University (US) | 2014-06-25 | — | — | EP | claimed |
| WO-2013081685-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-06-06 | — | — | WO | claimed |
| WO-2013028639-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2013-02-28 | — | — | WO | claimed |
| US-7419972-B2 | 2-substituted estra-1,3,5(10)-trien-17-ones as inhibitors of 17β-hydroxy steroid dehydrogenase type 1 | SCHERING AG (DE) | 2008-09-02 | — | — | US | claimed |
| US-20060009434-A1 | New 2-substituted estra-1,3,5(10)-trien-17-ones as inhibitors of 17beta-hydroxy steroid dehydrogenase type 1 | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-01-12 | — | — | US | claimed |
| US-4183864-A | Cobalt catalyzed steroid synthesis | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) | 1980-01-15 | — | — | US | claimed |
| JP-2024028916-A | 15β-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONE COMPOUNDS AND 17-OXIMES THEREOF FOR USE IN INHIBITION OF 17β-HYDROXYSTEROID DEHYDROGENASE | フォレンド ファーマ リミテッド | 2024-03-05 | — | — | JP | disclosed |
| EP-3634975-B1 | 17-OXIMES OF 15.BETA.-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES FOR USE IN INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASES | ORGANON R&D FINLAND LTD (FI) | 2024-02-28 | — | — | EP | disclosed |
| 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-3998847-A | 9,10-SECOESTRANE DERIVATIVES AND THEIR PRODUCTION | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-12-21 | — | — | US | disclosed |
| US-3976701-A | Process for the preparation of 9,10-secoestrane derivatives | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-08-24 | — | — | US | disclosed |
| US-3965124-A | 6,9-Oxido-9,10-secoestrane derivatives and method of synthesis | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-06-22 | — | — | US | 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 (6 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-20200190012-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | STS 1167/4885CYP19A1 2950/4885HSD17B1 1809/4885 |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | STS 1167/4885CYP19A1 2950/4885HSD17B1 1809/4885 |
| US-20060009434-A1 | New 2-substituted estra-1,3,5(10)-trien-17-ones as inhibitors of 17beta-hydroxy steroid dehydrogenase type 1 | HSD17B11, CYP19A1, CYP17A1 | STS 143/4885CYP19A1 2/4885HSD17B1 4/4885 |
| US-20190127311-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | STS 1167/4885CYP19A1 2950/4885HSD17B1 1809/4885 |
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | STS 1167/4885CYP19A1 2950/4885HSD17B1 1809/4885 |
| US-10196341-B2 | C-halogen bond formation | CBR3, FOS, CBR1 | STS 1167/4885CYP19A1 2950/4885HSD17B1 1809/4885 |
“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.