Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 8/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 6/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.38 |
| ▸ | PGR | P06401 | 4/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL3529041 | 0.84 | NR3C1 (0.42) | NR3C1NR3C2PDK1PDK2PDK3 | |
| SCHEMBL3536598 | 0.82 | NR3C1 (0.39) | HSD11B1NR3C1NR3C2PDK1PDK2 | |
| SCHEMBL3532068 | 0.80 | NR3C2 (0.49) | NR3C1NR3C2PGR | |
| SCHEMBL27650704 | 0.79 | NR3C1 (0.45) | NR3C1NR3C2PGR | |
| SCHEMBL5775583 | 0.79 | NR3C1 (0.40) | HSD11B1NR3C1NR3C2PGR | |
| SCHEMBL3533193 | 0.78 | NR3C2 (0.43) | HSD11B1NR3C1NR3C2PDK1PDK2 | |
| SCHEMBL3537462 | 0.77 | KMT2A (0.44) | HSD11B1PDK1PDK2PDK3PDK4 | |
| SCHEMBL5202432 | 0.76 | NR3C1 (0.34) | NR3C1NR3C2PGR | |
| SCHEMBL331385 | 0.75 | NR3C1 (0.39) | NR3C1NR3C2PGR | |
| SCHEMBL3532999 | 0.74 | NR3C1 (0.39) | NR3C1NR3C2PGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1816532-A | Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents | SCHERING AG (DE) | 2006-08-09 | — | — | CN | disclosed |
| EP-1638945-A1 | HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS | Schering Aktiengesellschaft (DE) | 2006-03-29 | — | — | EP | disclosed |
| US-20050090559-A1 | Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents | SCHERING AG (DE) | 2005-04-28 | — | — | US | disclosed |
| WO-2005003098-A1 | HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-01-13 | — | — | 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-20050090559-A1 | Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents | IL1B, NFKBIA, BBOX1 | HSD11B1 159/4885NR3C1 1483/4885NR3C2 872/4885 |
“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.