Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21496758 | 1.00 | HDAC4 (0.37) | HDAC4ALDH1A1CA1CA2CA7 | |
| SCHEMBL23137138 | 0.82 | GPR88 (0.40) | ALDH1A1MAPTNFKB1KDM4ETHRB | |
| SCHEMBL23116579 | 0.82 | GPR88 (0.40) | ALDH1A1MAPTNFKB1KDM4ETHRB | |
| SCHEMBL23116577 | 0.82 | GPR88 (0.40) | ALDH1A1MAPTNFKB1KDM4ETHRB | |
| SCHEMBL24368975 | 0.81 | HDAC4 (0.36) | HDAC4CA1CA2CA7 | |
| SCHEMBL25099307 | 0.81 | HDAC4 (0.36) | HDAC4CA1CA2CA7 | |
| SCHEMBL25099109 | 0.79 | CYP2C9 (0.41) | HDAC4CA1CA2CA7MEN1 | |
| SCHEMBL24459288 | 0.77 | ACACB (0.39) | HDAC4ALDH1A1MAPTNFKB1KDM4E | |
| SCHEMBL13136108 | 0.77 | ACACB (0.39) | HDAC4ALDH1A1MAPTNFKB1KDM4E | |
| SCHEMBL11915410 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CA1CA2CA7MAPT |
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 7 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-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 |
| US-20210087131-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE | 2021-03-25 | — | — | US | disclosed |
| CN-112312902-A | Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids | 斯克里普斯研究学院 | 2021-02-02 | — | — | CN | disclosed |
| WO-2019204477-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-10-24 | — | — | 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-11021427-B2 | Pd(II)-catalyzed enantioselective C—H arylation of free carboxylic acids | PDCD1, PDK3, PDCD1LG2 | HDAC4 1462/4885ALDH1A1 135/4885CA1 1126/4885 |
| US-20210087131-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | PDCD1, PDK3, PDCD1LG2 | HDAC4 1480/4885ALDH1A1 138/4885CA1 1106/4885 |
“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.