Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2831442 | 0.95 | NPC1 (0.54) | NPC1TSHRTDP1L3MBTL1TP53 | |
| SCHEMBL2833474 | 0.90 | NPC1 (0.59) | NPC1TSHRTDP1L3MBTL1TP53 | |
| SCHEMBL2835383 | 0.84 | KMT2A (0.48) | NPC1TDP1L3MBTL1ALDH1A1LMNA | |
| SCHEMBL2838398 | 0.82 | POLB (0.49) | NPC1TDP1L3MBTL1ALDH1A1 | |
| SCHEMBL2834927 | 0.82 | NPC1 (0.82) | NPC1TSHRL3MBTL1TP53MAPK1 | |
| SCHEMBL2835351 | 0.80 | KMT2A (0.47) | NPC1TSHRTDP1L3MBTL1TP53 | |
| SCHEMBL11544365 | 0.80 | NPC1 (0.67) | NPC1TSHRTDP1L3MBTL1TP53 | |
| SCHEMBL28024831 | 0.79 | TSHR (0.78) | TSHRTDP1L3MBTL1TP53CYP3A4 | |
| SCHEMBL14151507 | 0.79 | TDP1 (0.70) | NPC1TSHRTDP1CYP3A4MAPK1 | |
| SCHEMBL28352236 | 0.79 | TSHR (0.55) | NPC1TSHRTDP1L3MBTL1TP53 |
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-8263268-B2 | Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound | UBE INDUSTRIES, LTD. (JP) | 2012-09-11 | — | — | US | disclosed |
| EP-2108640-B1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | UBE INDUSTRIES (JP) | 2012-07-25 | — | — | EP | disclosed |
| US-20100119955-A1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | UBE INDUSTRIES, LTD. (JP) | 2010-05-13 | — | — | US | disclosed |
| EP-2108640-A1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | Ube Industries, Ltd. (JP) | 2009-10-14 | — | — | 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-20100119955-A1 | ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND | CEL, LAGE3, PEF1 | NPC1 962/4885TSHR 3459/4885TDP1 3303/4885 |
“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.