Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL140649 | 0.89 | PTGS1 (0.47) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL138386 | 0.89 | CA2 (0.42) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL139624 | 0.89 | PTGS1 (0.53) | CA2PTGS1PTGS2LMNARXFP1 | |
| SCHEMBL139626 | 0.89 | CA2 (0.45) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL139691 | 0.85 | KDM1A (0.45) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL13090062 | 0.80 | CA2 (0.42) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL138368 | 0.80 | LMNA (0.68) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL138442 | 0.79 | PTGS1 (0.44) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL139634 | 0.76 | PTGS1 (0.46) | CA2PTGS1PTGS2GRIA4LMNA | |
| SCHEMBL38654733 | 0.76 | PSIP1 (0.50) | GRIA4LMNARXFP1KMT2AALDH1A1 |
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-20140018566-A1 | PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2014-01-16 | — | — | US | disclosed |
| US-20140018566-A1 | PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2014-01-16 | — | — | US | disclosed |
| US-20120059179-A1 | PALLADIUM-CATALYZED ORTHO-FLUORINATION | The Scripps Research Insitiute (US) | 2012-03-08 | — | — | US | disclosed |
| WO-2010115098-A2 | PALLADIUM-CATALYZED ORTHO-FLUORINATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2010-10-07 | — | — | 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-20140018566-A1 | PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES | AHR, DDT, AOC2 | CA2 1499/4885PTGS1 4606/4885PTGS2 4317/4885 |
| US-20120059179-A1 | PALLADIUM-CATALYZED ORTHO-FLUORINATION | POF1B, OCIAD2, ODC1 | CA2 3314/4885PTGS1 4856/4885PTGS2 4566/4885 |
“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.