Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5359563 | 1.00 | ESR1 (0.35) | ESR1ESR2ALDH2KCNJ11HSD17B10 | |
| SCHEMBL5367335 | 1.00 | ESR1 (0.35) | ESR1ESR2ALDH2KCNJ11HSD17B10 | |
| SCHEMBL5350016 | 0.95 | ESR1 (0.34) | ESR1ESR2KCNJ11HSD17B10 | |
| SCHEMBL5355406 | 0.91 | ESR2 (0.37) | ESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL5359963 | 0.91 | ESR1 (0.33) | ESR1ESR2KCNJ11 | |
| SCHEMBL5358039 | 0.91 | ESR1 (0.39) | ESR1ESR2ALDH2KCNJ11 | |
| SCHEMBL5358409 | 0.89 | ESR1 (0.36) | ESR1ESR2KCNJ11HSD17B10CYP2C9 | |
| SCHEMBL5361475 | 0.89 | ESR1 (0.34) | ESR1ESR2KCNJ11HSD17B1HSD17B2 | |
| SCHEMBL5350620 | 0.89 | HSD17B1 (0.35) | ESR1KCNJ11HSD17B1HSD17B2 | |
| SCHEMBL5359670 | 0.88 | ESR1 (0.37) | ESR1KCNJ11HSD17B10CYP2C9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7196081-B2 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-03-27 | — | — | US | disclosed |
| US-7196081-B2 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-03-27 | — | — | US | disclosed |
| US-7196081-B2 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-03-27 | — | — | US | disclosed |
| US-20050192449-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-09-01 | — | — | US | disclosed |
| US-6737417-B2 | AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2004-05-18 | — | — | US | disclosed |
| EP-1361205-A1 | Compounds with hydroxycarbonyl-halogenalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-11-12 | — | — | EP | disclosed |
| US-20030130347-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-07-10 | — | — | US | disclosed |
| US-20030114524-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chain | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-1241158-A1 | COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-09-18 | — | — | 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 (3 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-20050192449-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | CYP19A1, HSD17B11, SHBG | ESR1 4/4885ESR2 8/4885ALDH2 2172/4885 |
| US-20030114524-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chain | HSD17B11, CYP19A1, SHBG | ESR1 9/4885ESR2 6/4885ALDH2 2258/4885 |
| US-20030130347-A1 | Compounds with hydroxycarbonyl-halogenoalkyl side chains | HSD17B11, CYP19A1, SHBG | ESR1 7/4885ESR2 6/4885ALDH2 2373/4885 |
“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.