Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13507025 | 0.84 | ESR1 (0.38) | ESR1ESR2CYP1A2CYP1B1CYP1A1 | |
| SCHEMBL13507134 | 0.82 | ESR1 (0.39) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17943991 | 0.81 | S1PR5 (0.41) | ESR1ESR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17945210 | 0.81 | CYP1A1 (0.38) | ESR1ESR2CYP1A2FYNAHR | |
| SCHEMBL22217375 | 0.80 | HPRT1 (0.38) | ESR1ESR2CYP1A2ERBB2FYN | |
| SCHEMBL19110208 | 0.80 | ESR1 (0.37) | ESR1ESR2CYP1A2ALDH1A1HPGD | |
| SCHEMBL17943984 | 0.80 | F9 (0.39) | ESR1ESR2CYP1A2FYNAHR | |
| SCHEMBL17944285 | 0.80 | CYP1A1 (0.39) | ESR1ESR2CYP1A2FYNAHR | |
| SCHEMBL13507082 | 0.80 | MAPT (0.36) | ESR1ESR2MAOAACHEALDH1A1 | |
| SCHEMBL25128993 | 0.79 | ESR1 (0.39) | ESR1ESR2CYP1A2CYP1B1CYP1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8124249-B2 | Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers | MERCK PATENT GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| US-8124249-B2 | Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers | MERCK PATENT GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| US-20080171225-A1 | Novel Materials For Organic Electroluminescent Devices | MERCK PATENT GMBH (DE) | 2008-07-17 | — | — | US | disclosed |
| US-20080171225-A1 | Novel Materials For Organic Electroluminescent Devices | MERCK PATENT GMBH (DE) | 2008-07-17 | — | — | 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 (1 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-20080171225-A1 | Novel Materials For Organic Electroluminescent Devices | OR10J3, EML4, TYR | ESR1 201/4885ESR2 515/4885CYP1A2 2355/4885 |
“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.