Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 5/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30285138 | 1.00 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1HSD17B10IDO1HSP90AA1 | |
| SCHEMBL2592408 | 0.84 | TDP1 (0.44) | ALDH1A1L3MBTL1HSP90AA1ALOX15TSHR | |
| SCHEMBL7086560 | 0.81 | MAP4K4 (0.42) | ALDH1A1L3MBTL1HSD17B10IDO1HSP90AA1 | |
| SCHEMBL15784149 | 0.81 | KDM4E (0.38) | ALDH1A1L3MBTL1IDO1HSP90AA1HSP90AB1 | |
| SCHEMBL105350 | 0.80 | — | — | |
| SCHEMBL30046325 | 0.78 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1HSD17B10IDO1ATAD2 | |
| SCHEMBL28545758 | 0.78 | RIPK1 (0.47) | ALDH1A1L3MBTL1HSD17B10IDO1ALOX15 | |
| SCHEMBL29594708 | 0.78 | RIPK1 (0.47) | ALDH1A1L3MBTL1HSD17B10IDO1ALOX15 | |
| SCHEMBL28907433 | 0.78 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1HSD17B10IDO1ATAD2 | |
| Methane SCHEMBL28426734 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311813-B | Palladium-catalyzed meta-C-H functionalized universal ligands | 斯克利普斯研究院 | 2023-02-28 | — | — | CN | disclosed |
| US-10696635-B2 | Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-06-30 | — | — | US | disclosed |
| US-20190119212-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE | 2019-04-25 | — | — | US | disclosed |
| WO-2017184589-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-10-26 | — | — | 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 (2 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-20190119212-A1 | A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS | AHR, PAH, DOHH | ALDH1A1 208/4885L3MBTL1 3987/4885HSD17B10 562/4885 |
| US-10696635-B2 | Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates | PAH, AHR, DDC | ALDH1A1 121/4885L3MBTL1 4735/4885HSD17B10 463/4885 |
“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.