Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.67 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.67 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.67 |
| ▸ | SCD | O00767 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | PHGDH | O43175 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2108540 | 0.85 | HDAC1 (0.61) | HDAC1HDAC3HDAC2SCD | |
| SCHEMBL1754325 | 0.78 | HDAC1 (1.00) | HDAC1HDAC3HDAC2 | |
| SCHEMBL1689458 | 0.77 | HDAC3 (0.61) | HDAC1HDAC3HDAC2HDAC8SCD | |
| SCHEMBL23674562 | 0.76 | SCD (0.84) | SCDPARP1PHGDHADORA3 | |
| SCHEMBL1270375 | 0.76 | SCD (0.89) | SCDPARP1PHGDHADORA3 | |
| SCHEMBL13206963 | 0.75 | SCD (0.82) | SCDPARP1PHGDHADORA3 | |
| SCHEMBL21241962 | 0.74 | SMN1; SMN2 (0.66) | SCDPARP1PHGDHADORA3 | |
| SCHEMBL21241963 | 0.74 | SMN1; SMN2 (0.66) | SCDPARP1PHGDHADORA3 | |
| SCHEMBL1689254 | 0.74 | HDAC1 (0.76) | HDAC1HDAC3HDAC2 | |
| SCHEMBL8349704 | 0.74 | HDAC1 (0.87) | HDAC1HDAC3HDAC2HDAC8 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | claimed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | claimed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | claimed |
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | 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 (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-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | HDAC1 6/4885HDAC3 17/4885HDAC2 42/4885 |
“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.