Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30103882 | 1.00 | CYP1A2 (0.32) | CYP1A2KDM4EPKM | |
| SCHEMBL3298848 | 1.00 | CYP1A2 (0.32) | CYP1A2KDM4EPKM | |
| SCHEMBL3302075 | 1.00 | CYP1A2 (0.32) | CYP1A2KDM4EPKM | |
| SCHEMBL3300377 | 1.00 | CYP1A2 (0.32) | CYP1A2KDM4EPKM | |
| SCHEMBL597340 | 0.97 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL18643051 | 0.92 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL28091921 | 0.90 | — | — | |
| Cyclohexane SCHEMBL28843819 | 0.86 | ACHE (0.31) | PKM | |
| SCHEMBL424258 | 0.86 | — | — | |
| SCHEMBL9910647 | 0.83 | GAA (0.31) | CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293217-B2 | Hydrogenation of caryophellene | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-10-23 | — | — | US | disclosed |
| US-20100092404-A1 | HYDROGENATION OF CARYOPHELLENE | E.I. DU PONT DE NEMOURS AND COMAPNY (DE) | 2010-04-15 | — | — | US | 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-20100092404-A1 | HYDROGENATION OF CARYOPHELLENE | CUTA, CPNE4, NISCH | CYP1A2 170/4885KDM4E 3393/4885PKM 4458/4885 |
“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.