Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ATF4 | P18848 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018447 | 0.81 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1PKMLMNA | |
| SCHEMBL6018951 | 0.80 | LSS (0.41) | ATF4LMNASMN1; SMN2 | |
| SCHEMBL6018955 | 0.80 | LSS (0.41) | ATF4LMNASMN1; SMN2 | |
| SCHEMBL7207244 | 0.79 | LSS (0.41) | KMT2AATF4DPP4HRH3 | |
| SCHEMBL7203539 | 0.78 | LSS (0.38) | ALDH1A1KMT2APKMATF4NR3C2 | |
| SCHEMBL5166328 | 0.73 | VCP (0.46) | ALDH1A1KMT2AMEN1ATF4NPC1 | |
| SCHEMBL5024143 | 0.73 | VCP (0.46) | ALDH1A1KMT2AMEN1ATF4NPC1 | |
| SCHEMBL6018451 | 0.71 | LMNA (0.41) | ALDH1A1PKMLMNAADRB2 | |
| SCHEMBL6018986 | 0.71 | LMNA (0.41) | ALDH1A1PKMLMNAADRB2 | |
| SCHEMBL6018455 | 0.71 | LMNA (0.41) | ALDH1A1PKMLMNAADRB2 |
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 | ALDH1A1 629/4885KMT2A 3669/4885MEN1 1351/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | ALDH1A1 498/4885KMT2A 3436/4885MEN1 1767/4885 |
“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.