Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | 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 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid Pentyl Ester SCHEMBL28494908 | 1.00 | ALDH1A1 (0.77) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Acetic Acid Pentyl Ester SCHEMBL29498410 | 1.00 | ALDH1A1 (0.77) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Nonylacetate SCHEMBL28469869 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Dodecylacetate SCHEMBL8359359 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Acetic Acid Hexadecyl Ester SCHEMBL27949949 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Tridecylacetate SCHEMBL29005826 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Nonylacetate SCHEMBL8054597 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Hexyl Acetate SCHEMBL20874997 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Octyl Acetate SCHEMBL3674843 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 | |
| Dodecylacetate SCHEMBL28108404 | 0.98 | ALDH1A1 (0.74) | ALDH1A1NAAATSHRHCAR2EPHX1 |
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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563829-A1 | METHOD OF IMPROVING STABILITY OF POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT | Arkema, Inc. (US) | 2013-03-06 | — | — | EP | claimed |
| US-20130041048-A1 | METHOD OF IMPROVING STABILITY OF POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT | ARKEMA INC. (US) | 2013-02-14 | — | — | US | claimed |
| WO-2011137033-A1 | METHOD OF IMPROVING STABILITY OF POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT | ARKEMA INC. (US) | 2011-11-03 | — | — | WO | claimed |
| CN-110997729-B | Cosmetic composition comprising bio-based polymer | 巴斯夫欧洲公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-107090090-B | Method for improving the stability of polyurethane polyol blends containing halogenated olefin blowing agents | 阿科玛股份有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-113736340-A | Anticorrosive paint and preparation method and equipment thereof | 中星防腐工程技术(广东)有限公司 | 2021-12-03 | — | — | CN | disclosed |
| EP-3862815-A1 | CHEMICAL LIQUID, CHEMICAL LIQUID HOUSING BODY, RESIST PATTERN FORMATION METHOD, AND PRODUCTION METHOD FOR SEMICONDUCTOR CHIPS | FUJIFILM Corporation (JP) | 2021-08-11 | — | — | EP | disclosed |
| US-20210223698-A1 | CHEMICAL LIQUID, CHEMICAL LIQUID STORAGE BODY, RESIST PATTERN FORMING METHOD, AND SEMICONDUCTOR CHIP MANUFACTURING METHOD | FUJIFILM CORPORATION (JP) | 2021-07-22 | — | — | US | disclosed |
| CN-112805628-A | Chemical solution, chemical solution container, resist pattern forming method, and semiconductor chip manufacturing method | 富士胶片株式会社 | 2021-05-14 | — | — | CN | disclosed |
| CN-105264000-B | Stabilized polyurethane polyol blends containing halogenated olefin blowing agents | 阿科玛股份有限公司 | 2021-04-27 | — | — | CN | disclosed |
| US-10961339-B2 | Stability of polyurethane polyol blends containing halogenated olefin blowing agents | ARKEMA INC. (US) | 2021-03-30 | — | — | US | disclosed |
| WO-2011150939-A1 | POLYMORPHS OF 2'-O-FUCOSYLLACTOSE AND PRODUCING THEREOF | GLYCOM A/S (DK) | 2011-12-08 | — | — | WO | disclosed |
| WO-2011137033-A1 | METHOD OF IMPROVING STABILITY OF POLYURETHANE POLYOL BLENDS CONTAINING HALOGENATED OLEFIN BLOWING AGENT | ARKEMA INC. (US) | 2011-11-03 | — | — | WO | disclosed |
| US-20070172441-A1 | Cation-modified purified galactomannan polysaccharide and cosmetic composition containing the substance | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-07-26 | — | — | US | disclosed |
| EP-1739095-A1 | CATION-MODIFIED PURIFIED GALACTOMANNAN POLYSACCHARIDE AND COSMETIC COMPOSITION CONTAINING THE SUBSTANCE | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |
| US-20060275235-A1 | Cation-modified galactomannan polysaccharide and cosmetic composition containing the same | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-12-07 | — | — | US | disclosed |
| EP-1630176-A1 | CATION-MODIFIED GALACTOMANNAN POLYSACCHARIDE AND COSMETIC COMPOSITION CONTAINING THE SAME | TOHO CHEMICAL INDUSTRY CO., LTD. (JP) | 2006-03-01 | — | — | EP | disclosed |
| US-4900621-A | Ultrathin blended cellulose nitrate polymer films and their preparation | HOECHST CELANESE CORPORATION (US) | 1990-02-13 | — | — | US | disclosed |
| US-4746473-A | Ultrathin blended cellulose nitrate polymer films and their preparation | HOECHST CELANESE CORPORATION (US) | 1988-05-24 | — | — | US | disclosed |
| EP-0007976-A1 | Lithographic resist and device processing utilizing same | Western Electric Company, Incorporated (US) | 1980-02-20 | — | — | 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 (2 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-20060275235-A1 | Cation-modified galactomannan polysaccharide and cosmetic composition containing the same | FUT6, FUT5, FUCA1 | ALDH1A1 1160/4885NAAA 858/4885TSHR 700/4885 |
| US-20070172441-A1 | Cation-modified purified galactomannan polysaccharide and cosmetic composition containing the substance | GALR1, GALR2, GALR3 | ALDH1A1 1005/4885NAAA 3096/4885TSHR 762/4885 |
“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.