Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | IKBKB | O14920 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | ESR1 | P03372 | 7/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29786775 | 0.97 | NPC1 (0.48) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL18593328 | 0.91 | NPC1 (0.48) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL18593334 | 0.90 | NPC1 (0.43) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL28616475 | 0.90 | ESR2 (0.56) | HDAC6ESR2ESR1 | |
| SCHEMBL18593335 | 0.90 | NPC1 (0.43) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL18593309 | 0.90 | ESR2 (0.45) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL29460445 | 0.90 | ESR2 (0.45) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL29819567 | 0.90 | ESR2 (0.45) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL29612201 | 0.89 | NPC1 (0.39) | NPC1RAB9AGFERHDAC6HDAC3 | |
| SCHEMBL18593362 | 0.88 | S1PR1 (0.46) | NPC1RAB9AGFERHDAC6HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9856208-B2 | Method for producing an arene with an aromatic C—N bond ortho to an aromatic C—O bond | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2018-01-02 | — | — | US | disclosed |
| US-20170066711-A1 | METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-03-09 | — | — | US | disclosed |
| US-20170066711-A1 | METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-03-09 | — | — | 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-20170066711-A1 | METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND | AOX1, NOX4, NOXO1 | NPC1 1680/4885RAB9A 769/4885GFER 1057/4885 |
“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.