Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| 4-Nitrotoluene SCHEMBL23112224 | 0.93 | ACHE (0.60) | CES1CES2ACHEHSD17B10MEN1 | |
| 4-Nitrotoluene SCHEMBL21633328 | 0.90 | ACHE (0.51) | CES1CES2ACHEHSD17B10MEN1 | |
| SCHEMBL7520487 | 0.86 | TDP1 (0.65) | CES1CES2MEN1KMT2AGAA | |
| SCHEMBL10621948 | 0.84 | TDP1 (0.63) | CES1CES2MEN1KMT2AGAA | |
| Thiobenzoic Acid SCHEMBL8579917 | 0.83 | CES2 (0.54) | CES1CES2MEN1KMT2AGAA | |
| 4-Nitrobenzoyl Chloride SCHEMBL27648131 | 0.80 | ALDH1A1 (0.73) | CES1CES2ACHEHSD17B10MEN1 | |
| SCHEMBL20120205 | 0.80 | ACHE (0.78) | CES1CES2ACHEHSD17B10MEN1 | |
| Nitrobenzene SCHEMBL4937722 | 0.80 | LMNA (0.76) | CES1CES2ACHEHSD17B10MEN1 | |
| Thiobenzoic Acid SCHEMBL28198923 | 0.80 | LMNA (0.58) | CES1CES2ACHEMEN1KMT2A | |
| Thiobenzoic Acid SCHEMBL7582715 | 0.78 | CES2 (0.56) | CES1CES2ACHEMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6458968-B2 | REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE | RENSSELAER POLYTECHNIC INSTITUTE | 2002-10-01 | — | — | US | claimed |
| US-20020019554-A1 | Dithiocarboxylic ester synthetic process | RENSSELAER POLYTECHNIC INSTITUTE | 2002-02-14 | — | — | US | claimed |
| US-6458968-B2 | REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE | RENSSELAER POLYTECHNIC INSTITUTE | 2002-10-01 | — | — | US | disclosed |
| US-20020019554-A1 | Dithiocarboxylic ester synthetic process | RENSSELAER POLYTECHNIC INSTITUTE | 2002-02-14 | — | — | 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-20020019554-A1 | Dithiocarboxylic ester synthetic process | TST, PCCA, CTH | CES1 737/4885CES2 1778/4885ACHE 3128/4885 |
“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.