Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2835102 | 0.91 | NPC1 (0.46) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL2831834 | 0.84 | CYP3A4 (0.53) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL11354226 | 0.83 | CES2 (0.52) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL24370132 | 0.82 | CES2 (0.53) | CES2NPC1ADRB1RAB9AKMT2A | |
| SCHEMBL28051732 | 0.82 | L3MBTL1 (0.52) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL2833613 | 0.81 | KMT2A (0.45) | CES2CES1TDP1ADRB2ADRB1 | |
| SCHEMBL850767 | 0.81 | ADRB2 (0.48) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL529612 | 0.80 | TDP1 (0.63) | NPC1TDP1RAB9AESR1ESR2 | |
| SCHEMBL28953541 | 0.80 | CES2 (0.52) | CES2CES1NPC1TDP1ADRB2 | |
| SCHEMBL522694 | 0.80 | LMNA (0.64) | CES2CES1NPC1TDP1ADRB2 |
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 | CES2 87/4885CES1 994/4885NPC1 962/4885 |
“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.