Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20346321 | 0.84 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL3353189 | 0.79 | CYP3A4 (0.45) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL3354704 | 0.79 | CYP3A4 (0.45) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL5423271 | 0.78 | LMNA (0.59) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL1246220 | 0.77 | TSHR (0.96) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL20311441 | 0.77 | CYP3A4 (0.58) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL15818433 | 0.77 | TSHR (0.67) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL15831122 | 0.77 | TSHR (0.67) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL7375349 | 0.76 | SMN1; SMN2 (0.48) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| Tetrahydrofuran SCHEMBL27959543 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP2C19GAATSHRALDH1A1 |
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-9056817-B2 | Arylated β-dicarbonyl compounds and process for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2015-06-16 | — | — | US | disclosed |
| US-20140228592-A1 | ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 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 (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-20140228592-A1 | ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF | CYP51A1, DDT, CYP3A4 | CYP3A4 3/4885CYP2C19 41/4885GAA 814/4885 |
“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.