Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | FTH1 | P02794 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL14350479 | 0.95 | CYP3A4 (0.50) | CYP3A4CA1CA2CA4KMT2A | |
| SCHEMBL29477300 | 0.70 | CYP3A4 (0.61) | CYP3A4KMT2ACNR2PPARAMEN1 | |
| SCHEMBL6243332 | 0.67 | KMT2A (0.58) | CA1CA2CA4KMT2AMEN1 | |
| SCHEMBL6243018 | 0.67 | KMT2A (0.58) | CA1CA2CA4KMT2AMEN1 | |
| SCHEMBL2690225 | 0.67 | CA1 (0.54) | CA1CA2CA4KMT2AMEN1 | |
| SCHEMBL15945067 | 0.67 | CYP3A4 (0.59) | CYP3A4KMT2ACNR2PPARAMEN1 | |
| SCHEMBL15939525 | 0.67 | CYP3A4 (0.59) | CYP3A4KMT2ACNR2PPARAMEN1 | |
| 15-Norcaryophyllen-3-One SCHEMBL677511 | 0.66 | MEN1 (0.69) | CYP3A4KMT2ACNR2PPARAMEN1 | |
| 15-Norcaryophyllen-3-One SCHEMBL677541 | 0.66 | MEN1 (0.69) | CYP3A4KMT2ACNR2PPARAMEN1 | |
| Dihydrocaryophyllen-5-One SCHEMBL24176296 | 0.66 | CYP3A4 (1.00) | CYP3A4CA1CA2CA4KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-09-04 | — | — | US | claimed |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | US | claimed |
| US-10196341-B2 | C-halogen bond formation | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2019-02-05 | — | — | US | disclosed |
| US-20150031768-A1 | C-HALOGEN BOND FORMATION | NATIONAL SCIENCE FOUNDATION | 2015-01-29 | — | — | US | disclosed |
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-09-04 | — | — | US | disclosed |
| US-20140227184-A1 | C-HALOGEN BOND FORMATION | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2014-08-14 | — | — | 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 (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-20140227184-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP3A4 1365/4885CA1 429/4885CA2 1303/4885 |
| US-20140249329-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP3A4 1365/4885CA1 429/4885CA2 1303/4885 |
| US-10196341-B2 | C-halogen bond formation | CBR3, FOS, CBR1 | CYP3A4 1365/4885CA1 429/4885CA2 1303/4885 |
| US-20150031768-A1 | C-HALOGEN BOND FORMATION | CBR3, FOS, CBR1 | CYP3A4 1365/4885CA1 429/4885CA2 1303/4885 |
“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.