Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28157695 | 0.75 | ALDH1A1 (0.85) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL137291 | 0.74 | ALDH1A1 (0.94) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL27611581 | 0.72 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL27594824 | 0.72 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL11879891 | 0.72 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL27457480 | 0.72 | ALDH1A1 (0.90) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Acridine SCHEMBL463236 | 0.71 | ALDH1A1 (0.77) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL29120681 | 0.71 | ALDH1A1 (0.77) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL29822171 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Quinoline SCHEMBL29349552 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NPC1POLBRAB9AMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6875877-B2 | Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides | LI JINGLIN JAMES T (US) | 2005-04-05 | — | — | US | disclosed |
| EP-1331225-A1 | Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides | G.D. SEARLE & CO. (US) | 2003-07-30 | — | — | EP | disclosed |
| EP-1042314-B1 | METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES | SEARLE & CO (US) | 2003-03-19 | — | — | EP | disclosed |
| US-20020188119-A1 | Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides | LI JINGLIN (US) | 2002-12-12 | — | — | US | disclosed |
| US-6369220-B1 | OXIDIZING AN ARYL-3-HYDROXYPROPYLSULFIDE; OXIDIZING 3-HYDROXY GROUP INTO ARYL-3-PROPANALSULFOXIDE; CYCLIZATION | G.D. SEARLE, LLC | 2002-04-09 | — | — | 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-20020188119-A1 | Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides | TST, THOP1, TH | ALDH1A1 767/4885NPC1 4462/4885POLB 390/4885 |
“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.