Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2077625 | 0.80 | CYP1A2 (0.45) | SMN1; SMN2MEN1LMNAKMT2ACYP1A2 | |
| SCHEMBL2080706 | 0.80 | ADRA2A (0.36) | RORCMEN1LMNAKMT2AKIF11 | |
| SCHEMBL16799531 | 0.79 | SMN1; SMN2 (0.55) | SMN1; SMN2RORCMEN1LMNAKMT2A | |
| SCHEMBL14546864 | 0.78 | SMN1; SMN2 (0.71) | SMN1; SMN2MEN1KMT2ATDP1IDO1 | |
| SCHEMBL669442 | 0.75 | EPHX2 (0.70) | SMN1; SMN2MEN1LMNAKMT2ATDP1 | |
| SCHEMBL5360739 | 0.74 | KIF11 (0.41) | LMNACYP1A2TDP1MAPK1KIF11 | |
| Nitrogen SCHEMBL28799837 | 0.72 | SMN1; SMN2 (0.66) | SMN1; SMN2MEN1LMNAKMT2ATDP1 | |
| SCHEMBL5544653 | 0.72 | SMN1; SMN2 (0.71) | SMN1; SMN2MEN1KMT2ATDP1IDO1 | |
| SCHEMBL9784355 | 0.72 | SMN1; SMN2 (0.71) | SMN1; SMN2MEN1KMT2ATDP1IDO1 | |
| SCHEMBL28028708 | 0.72 | SMN1; SMN2 (0.71) | SMN1; SMN2MEN1KMT2ATDP1IDO1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | SMN1; SMN2 4516/4885RORC 83/4885MEN1 2717/4885 |
| US-20100004297-A1 | NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885MEN1 2717/4885 |
| US-20080096937-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885MEN1 2717/4885 |
| US-20060004068-A1 | Novel hexafluoroisopropanol derivatives | NR1H3, NR1H2, NR1I2 | SMN1; SMN2 4516/4885RORC 83/4885MEN1 2717/4885 |
“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.