Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 4/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 3/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21496651 | 1.00 | HDAC4 (0.48) | HDAC4HDAC6CYP3A4MAPK1ATM | |
| SCHEMBL21496635 | 0.84 | HDAC4 (0.49) | HDAC4HDAC6CYP3A4MAPK1NPC1 | |
| SCHEMBL1570133 | 0.84 | HDAC4 (0.49) | HDAC4HDAC6CYP3A4MAPK1NPC1 | |
| SCHEMBL23116581 | 0.83 | CTRB1 (0.54) | HDAC4HDAC6CYP3A4MAPK1NPC1 | |
| SCHEMBL23116580 | 0.83 | CTRB1 (0.54) | HDAC4HDAC6CYP3A4MAPK1NPC1 | |
| SCHEMBL21501009 | 0.82 | ATM (0.67) | CYP3A4ATMACE | |
| SCHEMBL21501008 | 0.82 | ATM (0.67) | CYP3A4ATMACE | |
| SCHEMBL23116558 | 0.81 | CTRB1 (0.66) | HDAC4HDAC6MAPK1ATMNPC1 | |
| SCHEMBL10952300 | 0.81 | CTRB1 (0.66) | HDAC4HDAC6MAPK1ATMNPC1 | |
| SCHEMBL21501067 | 0.77 | CTRB1 (0.68) | CYP3A4ATMCTRB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112312902-B | Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids | 斯克里普斯研究学院 | 2022-02-18 | — | — | CN | disclosed |
| US-11021427-B2 | Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-06-01 | — | — | US | disclosed |
| US-20210087131-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE | 2021-03-25 | — | — | 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 (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-11021427-B2 | Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids | PDCD1, PDK3, PDCD1LG2 | HDAC4 1462/4885HDAC6 867/4885CYP3A4 593/4885 |
| US-20210087131-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | PDCD1, PDK3, PDCD1LG2 | HDAC4 1480/4885HDAC6 847/4885CYP3A4 594/4885 |
“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.