Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | WRN | Q14191 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PAM | P19021 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL504457 | 0.77 | — | — | |
| SCHEMBL23093934 | 0.77 | TSHR (0.44) | TSHRALDH1A1NAAAHPGDHIF1A | |
| SCHEMBL4675118 | 0.77 | TSHR (0.52) | TSHRALDH1A1NAAAHPGDHIF1A | |
| SCHEMBL16713973 | 0.77 | NAAA (0.43) | TSHRALDH1A1NAAAHPGDHIF1A | |
| SCHEMBL1332051 | 0.75 | — | — | |
| SCHEMBL21385368 | 0.75 | TSHR (0.50) | TSHRALDH1A1HPGDHIF1ATP53 | |
| SCHEMBL14768554 | 0.74 | TSHR (0.47) | TSHRALDH1A1HPGDHIF1ATDP1 | |
| SCHEMBL6639977 | 0.73 | — | — | |
| SCHEMBL14587464 | 0.73 | — | — | |
| SCHEMBL14587492 | 0.72 | CHRNB2 (0.39) | TSHRALDH1A1HPGDHIF1ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3037405-B1 | 3-ACYLOXYMETHYL-3-BUTENYL CARBOXYLATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHINETSU CHEMICAL CO (JP) | 2019-10-30 | — | — | EP | disclosed |
| US-9499468-B2 | 3-acyloxymethyl-3-butenyl carboxylate compound and method for producing 4-alkyl-3-methylenebutyl carboxylate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-11-22 | — | — | US | disclosed |
| US-20160185707-A1 | 3-ACYLOXYMETHYL-3-BUTENYL CARBOXYLATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-06-30 | — | — | US | disclosed |
| EP-3037405-A1 | 3-ACYLOXYMETHYL-3-BUTENYL CARBOXYLATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-06-29 | — | — | EP | 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-20160185707-A1 | 3-ACYLOXYMETHYL-3-BUTENYL CARBOXYLATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | HACL2, MBOAT7, MCCC2 | TSHR 3103/4885ALDH1A1 710/4885NAAA 251/4885 |
“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.