Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.33 |
| ▸ | ESR1 | P03372 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21577529 | 0.93 | ESR2 (0.38) | ESR2ESR1CYP3A4CYP2C9P2RY14 | |
| SCHEMBL23511122 | 0.92 | FFAR1 (0.31) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL21577521 | 0.90 | ESR2 (0.32) | ESR2ESR1CYP3A4CYP2C9P2RY14 | |
| SCHEMBL21577530 | 0.88 | P2RY14 (0.33) | P2RY14 | |
| SCHEMBL21577522 | 0.88 | ALDH1A1 (0.42) | ESR2ESR1CYP3A4CYP2C9P2RY14 | |
| SCHEMBL23051712 | 0.86 | ESR1 (0.30) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL21577523 | 0.86 | MEN1 (0.36) | ESR2CYP2C9P2RY14 | |
| SCHEMBL21577526 | 0.86 | ESR2 (0.42) | ESR2P2RY14 | |
| SCHEMBL21577535 | 0.86 | HDAC2 (0.33) | P2RY14 | |
| SCHEMBL25919448 | 0.86 | CYP3A4 (0.34) | CYP3A4CYP2C9P2RY14 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240072425-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | US | disclosed |
| US-20240072425-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2024-02-29 | — | — | US | disclosed |
| US-11739265-B2 | Aromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2023-08-29 | — | — | US | disclosed |
| US-11739265-B2 | Aromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2023-08-29 | — | — | US | disclosed |
| US-20230025385-A1 | FLUORINATED AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-01-26 | — | — | US | disclosed |
| WO-2022129018-A1 | HETEROAROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022090099-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |
| US-11306251-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2022-04-19 | — | — | US | disclosed |
| WO-2022043376-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-03-03 | — | — | WO | disclosed |
| WO-2022008474-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2021069535-A1 | FLUORINATED AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-04-15 | — | — | WO | disclosed |
| WO-2021037962-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2021-03-04 | — | — | WO | disclosed |
| US-20190352564-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-11-21 | — | — | 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 (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-20240072425-A1 | AROMATIC ISOTHIOCYANATES | TRPA1, TRPC1, CRY1 | ESR2 3395/4885ESR1 3154/4885CYP3A4 3107/4885 |
| US-20230025385-A1 | FLUORINATED AROMATIC COMPOUNDS | TRPA1, FOXM1, AFF1 | ESR2 3581/4885ESR1 3032/4885CYP3A4 1991/4885 |
| US-11739265-B2 | Aromatic isothiocyanates | TRPA1, CRY1, FOXM1 | ESR2 2846/4885ESR1 3086/4885CYP3A4 2381/4885 |
“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.