Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL3799640 | 0.93 | TSHR (0.33) | ALDH1A1TSHRTDP1 | |
| Methoxymethane SCHEMBL8323899 | 0.84 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1 | |
| Propane SCHEMBL1683354 | 0.81 | TSHR (0.36) | ALDH1A1TSHRTDP1 | |
| Hexane SCHEMBL7875362 | 0.79 | TSHR (0.47) | ALDH1A1TSHR | |
| SCHEMBL27338597 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1 | |
| Hexane SCHEMBL1554946 | 0.76 | TSHR (0.44) | ALDH1A1TSHR | |
| Pentane SCHEMBL12271939 | 0.76 | TSHR (0.47) | ALDH1A1TSHRTDP1 | |
| Dodecane SCHEMBL20299936 | 0.76 | TSHR (0.53) | ALDH1A1TSHR | |
| Heptane SCHEMBL7940831 | 0.76 | TSHR (0.53) | ALDH1A1TSHR | |
| Ethylene Glycol SCHEMBL2878574 | 0.76 | ALDH1A1 (0.35) | ALDH1A1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642802-B2 | Process for the preparation of halogenated benzoic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-02-04 | — | — | US | disclosed |
| EP-2310349-B1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2013-04-24 | — | — | EP | disclosed |
| US-20120330055-A1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | BACHMANN STEPHAN (CH) | 2012-12-27 | — | — | US | disclosed |
| US-8329939-B2 | Process for the preparation of halogenated benzoic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2012-12-11 | — | — | US | disclosed |
| US-20120130121-A1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | BACHMANN STEPHAN (CH) | 2012-05-24 | — | — | US | disclosed |
| US-20090306423-A1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | HOFFMANN-LA ROCHE, INC. | 2009-12-10 | — | — | 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 (3 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-20090306423-A1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | CYP2F1, CYP3A5, GABRA5 | ALDH1A1 294/4885TSHR 1718/4885TDP1 4059/4885 |
| US-20120330055-A1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | CYP2F1, GABRA5, CYP3A5 | ALDH1A1 283/4885TSHR 1746/4885TDP1 4066/4885 |
| US-20120130121-A1 | PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES | CYP2F1, GABRA5, CYP3A5 | ALDH1A1 283/4885TSHR 1746/4885TDP1 4066/4885 |
“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.