Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | SLC10A2 | Q12908 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2156712 | 0.78 | SMN1; SMN2 (0.39) | CA2CA7CA9CA1CA4 | |
| SCHEMBL2156935 | 0.69 | CA1 (0.40) | CA2CA7CA9CA1CA4 | |
| SCHEMBL13261336 | 0.67 | CA1 (0.44) | CA2CA7CA9CA1CA4 | |
| SCHEMBL2156052 | 0.67 | CA1 (0.38) | CA2CA7CA9CA1CA4 | |
| SCHEMBL13403195 | 0.66 | CA1 (0.38) | CA2CA7CA9CA1CA4 | |
| SCHEMBL4403141 | 0.63 | METAP1 (0.40) | CA2CA7CA9CA1CA4 | |
| SCHEMBL7191025 | 0.62 | CA1 (0.42) | CA2CA7CA9CA1CA4 | |
| SCHEMBL31012294 | 0.62 | CA1 (0.42) | CA2CA7CA9CA1CA4 | |
| SCHEMBL812538 | 0.61 | MAOA (0.53) | CA2CA7CA9CA1CA4 | |
| SCHEMBL12342221 | 0.61 | SLC40A1 (0.44) | CA2CA7CA9CA1CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7973072-B2 | Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example | GRUENENTHAL GMBH (DE) | 2011-07-05 | — | — | US | disclosed |
| US-20080161352-A1 | Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production | GRUENENTHAL GMBH (DE) | 2008-07-03 | — | — | US | disclosed |
| EP-1888555-A2 | SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | disclosed |
| WO-2006122771-A2 | SUBSTITUTED BENZO-CONDENSED CYCLOHEXANONE DERIVATIVES AND THE USE THEREOF FOR MEDICAMENT PRODUCTION | Grünenthal GmbH (DE) | 2006-11-23 | — | — | 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-20080161352-A1 | Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production | BCKDK, SYMPK, DHPS | CA2 2701/4885CA7 2561/4885CA9 3729/4885 |
“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.