Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Pentyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.77 |
| ▸ | NAAA | Q02083 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL9311824 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Hexadecyl Ester SCHEMBL5967719 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Nonylacetate SCHEMBL6324061 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Undecylacetate SCHEMBL8054518 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Dodecylacetate SCHEMBL11650858 | 0.96 | ALDH1A1 (0.71) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Pentyl Ester SCHEMBL10663 | 0.95 | — | — | |
| Acetic Acid Pentyl Ester SCHEMBL8583803 | 0.95 | ALDH1A1 (0.85) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Pentyl Ester SCHEMBL8810314 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Pentyl Ester SCHEMBL27792614 | 0.93 | ALDH1A1 (0.74) | ALDH1A1NAAATSHREPHX1HCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL3975972 | 0.93 | ALDH1A1 (0.90) | ALDH1A1NAAATSHREPHX1HCAR2 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114181079-B | Preparation method of high-efficiency permethrin | 江苏优嘉植物保护有限公司 | 2023-10-31 | — | — | CN | claimed |
| US-8981166-B2 | Extraction of fusel alcohols from ethanol fermentation products | WORKING BUGS, LLC (US) | 2015-03-17 | — | — | US | claimed |
| US-20140221701-A1 | EXTRACTION OF FUSEL ALCOHOLS FROM ETHANOL FERMENTATION PRODUCTS | WORKING BUGS, LLC (US) | 2014-08-07 | — | — | US | claimed |
| WO-2013010055-A1 | EXTRACTION OF FUSEL ALCOHOLS FROM ETHANOL FERMENTATION PRODUCTS | WORKING BUGS, LLC (US) | 2013-01-17 | — | — | WO | claimed |
| CN-114181079-B | Preparation method of high-efficiency permethrin | 江苏优嘉植物保护有限公司 | 2023-10-31 | — | — | CN | disclosed |
| US-10961250-B2 | Short-acting benzodiazepine salts and their polymorphic forms | PAION UK LIMITED (GB) | 2021-03-30 | — | — | US | disclosed |
| US-20200039990-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | PAION UK LIMITED (GB) | 2020-02-06 | — | — | US | disclosed |
| US-10472365-B2 | Short-acting benzodiazepine salts and their polymorphic forms | PAION UK LIMITED (GB) | 2019-11-12 | — | — | US | disclosed |
| CN-109777660-A | A kind of low cost is harmless and the preparation method of environment-friendly multi-purpose detergent | 张晶 | 2019-05-21 | — | — | CN | disclosed |
| CN-109749895-A | A kind of detergent that environmental protection is at low cost | 唐勇 | 2019-05-14 | — | — | CN | disclosed |
| US-20180186803-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | PAION UK LIMITED (GB) | 2018-07-05 | — | — | US | disclosed |
| US-9914738-B2 | Short-acting benzodiazepine salts and their polymorphic forms | PAION UK LIMITED (GB) | 2018-03-13 | — | — | US | disclosed |
| EP-2081921-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | PAION UK Limited (GB) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008007071-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | CENES LIMITED (GB) | 2008-01-17 | — | — | WO | disclosed |
| EP-0611364-B1 | METHOD AND APPARATUS FOR REMOVING MANGANESE FROM WATER | UNIV QUEENSLAND (AU) | 1997-07-30 | — | — | EP | disclosed |
| US-5407627-A | Process and apparatus for forming stress-free thermosetting resin products | POLYCRYL ENTERPRISES INC. (CA) | 1995-04-18 | — | — | US | disclosed |
| WO-1990015532-A1 | CONTROLLED RELEASE SYSTEM FOR INSECT ATTRACTANT | ECOLAB INC. (US) | 1990-12-27 | — | — | WO | disclosed |
| US-4947578-A | ENCLOSURES, VOLATILE ATTRACTANT, AND PERMEABLE MEMBRANE | ECOLAB INC. (US) | 1990-08-14 | — | — | US | disclosed |
| US-4464470-A | Replication of virulent treponema pallidum in tissue culture | SRI INTERNATIONAL (US) | 1984-08-07 | — | — | US | disclosed |
| US-4003135-A | Specimen holder and technique employed to effect a continuous maximum concentration gradient in critical point drying | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1977-01-18 | — | — | 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 (4 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-10472365-B2 | Short-acting benzodiazepine salts and their polymorphic forms | GABRA5, GABRA6, GABRA1 | ALDH1A1 646/4885NAAA 2469/4885TSHR 1325/4885 |
| US-20180186803-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | GABRA5, GABRA6, GABRA1 | ALDH1A1 646/4885NAAA 2469/4885TSHR 1325/4885 |
| US-20200039990-A1 | SHORT-ACTING BENZODIAZEPINE SALTS AND THEIR POLYMORPHIC FORMS | GABRA5, GABRA6, GABRA1 | ALDH1A1 646/4885NAAA 2469/4885TSHR 1325/4885 |
| US-10961250-B2 | Short-acting benzodiazepine salts and their polymorphic forms | GABRA5, GABRA6, GABRA1 | ALDH1A1 646/4885NAAA 2469/4885TSHR 1325/4885 |
“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.