Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 13/20 | 0.65 |
| ▸ | NR1H3 | Q13133 | 13/20 | 0.65 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1383716 | 0.90 | NR1H2 (0.66) | NR1H2NR1H3MLYCDTP53MAPT | |
| SCHEMBL1379781 | 0.90 | NR1H2 (0.68) | NR1H2NR1H3MLYCDTP53MAPT | |
| SCHEMBL2080791 | 0.90 | NR1H2 (0.73) | NR1H2NR1H3MEN1KMT2ATP53 | |
| SCHEMBL1381174 | 0.89 | NR1H2 (0.67) | NR1H2NR1H3MLYCD | |
| SCHEMBL1380619 | 0.88 | NR1H3 (0.66) | NR1H2NR1H3MLYCD | |
| SCHEMBL5566741 | 0.84 | NR1H2 (0.60) | NR1H2NR1H3MAPT | |
| SCHEMBL1382860 | 0.81 | NR1H2 (0.77) | NR1H2NR1H3 | |
| SCHEMBL1379725 | 0.81 | NR1H2 (0.73) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL1382717 | 0.80 | NR1H2 (0.76) | NR1H2NR1H3MLYCD | |
| SCHEMBL1386493 | 0.80 | NR1H2 (0.75) | NR1H2NR1H3MLYCD |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4809338-B2 | — | — | 2011-11-09 | — | — | JP | claimed |
| US-7259178-B2 | Containing an oxazole ring, e.g., 1,1,1,3,3,3-Hexafluoro-2-{4-[[5-methyl-2-(3-trifluoromethyl-phenyl)-oxazol-4-ylmethyl]-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-propan-2-ol; the compounds bind to and selectively activate LXR alpha and LXR beta; used to treat diseases such as atherosclerosis and diabetes | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | claimed |
| EP-1763502-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-21 | — | — | EP | claimed |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | claimed |
| WO-2006000323-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | WO | claimed |
| US-7897815-B2 | Hexafluoroisopropanol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-03-01 | — | — | US | disclosed |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | DEHMLOW HENRIETTA | 2010-01-07 | — | — | US | disclosed |
| US-7608721-B2 | Hexafluoroisopropanol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-10-27 | — | — | US | disclosed |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | DEHMLOW HENRIETTA | 2008-04-24 | — | — | US | disclosed |
| US-20070213377-A1 | Novel hexafluoroisopropanol derivatives | DEHMLOW HENRIETTA | 2007-09-13 | — | — | US | disclosed |
| US-7259178-B2 | Containing an oxazole ring, e.g., 1,1,1,3,3,3-Hexafluoro-2-{4-[[5-methyl-2-(3-trifluoromethyl-phenyl)-oxazol-4-ylmethyl]-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-propan-2-ol; the compounds bind to and selectively activate LXR alpha and LXR beta; used to treat diseases such as atherosclerosis and diabetes | HOFFMANN-LA ROCHE INC. (US) | 2007-08-21 | — | — | US | disclosed |
| EP-1763502-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | US | disclosed |
| WO-2006000323-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-01-05 | — | — | 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 (4 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-20070213377-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | NR1H2 2/4885NR1H3 1/4885HRH1 836/4885 |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | NR1H3, NR1H2, NR1I2 | NR1H2 2/4885NR1H3 1/4885HRH1 836/4885 |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | NR1H2 2/4885NR1H3 1/4885HRH1 836/4885 |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | NR1H2 2/4885NR1H3 1/4885HRH1 836/4885 |
“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.