Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018462 | 1.00 | KDM1A (0.33) | KDM1AHDAC8HDAC6CNR2LIMK2 | |
| SCHEMBL15017085 | 0.82 | CNR2 (0.38) | HDAC6CNR2LIMK2HTR2CSLC6A4 | |
| SCHEMBL5762532 | 0.81 | CNR2 (0.35) | HDAC6CNR2LIMK2HTR2CSLC6A4 | |
| SCHEMBL5762536 | 0.81 | CNR2 (0.35) | HDAC6CNR2LIMK2HTR2CSLC6A4 | |
| SCHEMBL5763985 | 0.77 | NR1H2 (0.32) | CNR2LIMK2 | |
| SCHEMBL5763983 | 0.77 | NR1H2 (0.32) | CNR2LIMK2 | |
| SCHEMBL8555619 | 0.77 | KMT2A (0.38) | CNR2LIMK2HTR2CSLC6A4KMT2A | |
| SCHEMBL9638805 | 0.77 | KMT2A (0.38) | CNR2LIMK2HTR2CSLC6A4KMT2A | |
| SCHEMBL6018891 | 0.77 | NFKB1 (0.34) | HDAC6HCAR2 | |
| SCHEMBL7043748 | 0.77 | CNR2 (0.33) | HDAC6CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | US | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | 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 (2 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-20050272774-A1 | Substituted cyclohexane derivatives | LSS, CYP51A1, CYP8B1 | KDM1A 2717/4885HDAC8 1265/4885HDAC6 4577/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | KDM1A 1933/4885HDAC8 1398/4885HDAC6 4559/4885 |
“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.