Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 6/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 2/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL607945 | 0.90 | HSD17B10 (0.44) | KDM4EALDH1A1HPGDNR1H2NR1H3 | |
| SCHEMBL27927680 | 0.89 | HSD17B10 (0.43) | KDM4EALDH1A1HPGDNR1H2NR1H3 | |
| Ethylene Glycol SCHEMBL2829965 | 0.84 | HSD17B10 (0.40) | NR1H2NR1H3CYP2C9MEN1KMT2A | |
| Methylene Chloride SCHEMBL28420789 | 0.84 | HSD17B10 (0.40) | KDM4EALDH1A1NR1H2NR1H3CYP2C9 | |
| Biphenyl SCHEMBL2835047 | 0.84 | GAA (0.44) | AKR1C2AKR1C1DHODHACLYFABP4 | |
| SCHEMBL12315391 | 0.83 | MAPT (0.47) | ABCB1ACLYALDH1A1HPGDMEN1 | |
| SCHEMBL2831144 | 0.83 | HSD17B10 (0.39) | KDM4ENR1H2NR1H3CYP2C9TSHR | |
| SCHEMBL28937180 | 0.83 | HSD17B1 (0.47) | MEN1KMT2A | |
| SCHEMBL28937179 | 0.83 | HSD17B10 (0.39) | NR1H2NR1H3CYP2C9TSHRMEN1 | |
| 1,3-Propanediol SCHEMBL2834709 | 0.81 | HSD17B10 (0.38) | NR1H2NR1H3CYP2C9MEN1KMT2A |
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 | AKR1C2 1435/4885AKR1C1 1866/4885DHODH 3017/4885 |
“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.