Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylstilbestrol. 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 | 14/20 | 0.95 |
| ▸ | ESR2 | Q92731 | 11/20 | 0.95 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.95 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.95 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.95 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.95 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.95 |
| ▸ | MEN1 | O00255 | 1/20 | 0.95 |
| ▸ | USP2 | O75604 | 1/20 | 0.95 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.95 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.95 |
| ▸ | TP53 | P04637 | 1/20 | 0.95 |
| ▸ | FYN | P06241 | 1/20 | 0.95 |
| ▸ | PGR | P06401 | 1/20 | 0.95 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.95 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.95 |
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 | |
|---|---|---|---|---|
| Diethylstilbestrol SCHEMBL27619582 | 1.00 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL17594536 | 1.00 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27372002 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL6542190 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL9224 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL9223 | 0.97 | ESR1 (1.00) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL27511281 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL28180301 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL21351798 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 | |
| Diethylstilbestrol SCHEMBL11333418 | 0.95 | ESR1 (0.95) | ESR1ESR2NR1I2CYP1A2CYP3A4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108367071-B | NKG2D-IG fusion protein for cancer immunotherapy | 达纳-法伯癌症研究所有限公司 | 2022-05-13 | — | — | CN | disclosed |
| US-10577315-B2 | Compositions and methods for treatment of prostate carcinoma | PELLFICURE PHARMACEUTICALS, INC. (US) | 2020-03-03 | — | — | US | disclosed |
| EP-3528799-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1, 4-DIONE | Pellficure Pharmaceuticals, Inc. (US) | 2019-08-28 | — | — | EP | disclosed |
| US-20190169122-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | PELLFICURE PHARMACEUTICALS | 2019-06-06 | — | — | US | disclosed |
| WO-2018195202-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER | PELLFICURE PHARMACEUTICALS INC. (US) | 2018-10-25 | — | — | WO | disclosed |
| US-10093620-B2 | Compositions and methods for treatment of prostate carcinoma | PELLFICURE PHARMACEUTICALS, INC. (US) | 2018-10-09 | — | — | US | disclosed |
| US-20180221306-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1,4-DIONE | PELLFICURE PHARMACEUTICALS, INC. | 2018-08-09 | — | — | US | disclosed |
| WO-2018080933-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1, 4-DIONE | PELLFICURE PHARMACEUTICALS INC. (US) | 2018-05-03 | — | — | WO | disclosed |
| US-20170283374-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | PELLFICURE PHARMACEUTICALS, INC. | 2017-10-05 | — | — | US | disclosed |
| EP-3191087-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | Pellficure Pharmaceuticals, Inc. (US) | 2017-07-19 | — | — | EP | disclosed |
| WO-2016040896-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | PELLFICURE PHARMACEUTICALS, INC. (US) | 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 (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-10093620-B2 | Compositions and methods for treatment of prostate carcinoma | KLK3, ACP3, NR5A1 | ESR1 454/4885ESR2 223/4885NR1I2 700/4885 |
| US-20190169122-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | KLK3, ACP3, NR5A1 | ESR1 454/4885ESR2 223/4885NR1I2 700/4885 |
| US-20180221306-A1 | PHARMACEUTICAL COMPOSITIONS OF 5-HYDROXY-2-METHYLNAPHTHALENE-1,4-DIONE | DHPS, SRD5A2, SRD5A1 | ESR1 2341/4885ESR2 2002/4885NR1I2 1201/4885 |
| US-20170283374-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA | KLK3, ACP3, NR5A1 | ESR1 454/4885ESR2 223/4885NR1I2 700/4885 |
| US-10577315-B2 | Compositions and methods for treatment of prostate carcinoma | KLK3, ACP3, NR5A1 | ESR1 454/4885ESR2 223/4885NR1I2 700/4885 |
“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.