Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.47 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.46 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22285459 | 0.82 | CYP3A4 (0.49) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| SCHEMBL16147056 | 0.82 | CES1 (0.64) | LMNATDP1ALDH1A1TSHRCES1 | |
| SCHEMBL12260655 | 0.80 | CYP3A4 (0.84) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| SCHEMBL2540223 | 0.80 | CYP3A4 (0.55) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| SCHEMBL25007318 | 0.76 | CYP19A1 (0.55) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| SCHEMBL16147669 | 0.76 | CYP3A4 (0.44) | CYP3A4ALDH1A1MEN1KMT2ATSHR | |
| Acetic Acid SCHEMBL28018578 | 0.74 | CYP3A4 (0.51) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| Trifluoroacetic Acid SCHEMBL30036865 | 0.74 | MEN1 (0.49) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| SCHEMBL5332528 | 0.73 | PLOD2 (0.62) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 | |
| SCHEMBL29479526 | 0.73 | PLOD2 (0.62) | CYP3A4CYP1A2LMNACYP11B1CYP11B2 |
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-9598340-B2 | Metal-catalyzed coupling of aryl and vinyl halides with alpha, alpha-difluorocarbonyl compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-21 | — | — | US | disclosed |
| US-9598340-B2 | Metal-catalyzed coupling of aryl and vinyl halides with alpha, alpha-difluorocarbonyl compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-21 | — | — | US | disclosed |
| US-9598340-B2 | Metal-catalyzed coupling of aryl and vinyl halides with alpha, alpha-difluorocarbonyl compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-21 | — | — | US | disclosed |
| US-20160052854-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-02-25 | — | — | US | disclosed |
| WO-2014165861-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-09 | — | — | WO | disclosed |
| WO-2014165861-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-09 | — | — | 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-20160052854-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | SOD1, HACL2, VHL | CYP3A4 238/4885CYP1A2 381/4885LMNA 1044/4885 |
“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.