Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethyl Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.88 |
| ▸ | LMNA | P02545 | 1/20 | 0.88 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.48 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL8096789 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL8145547 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL11473005 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL1816268 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL15443206 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL6066779 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL18492853 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL15546159 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL2309223 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA | |
| Ethyl Acetate SCHEMBL15546699 | 1.00 | ALDH1A1 (0.88) | ALDH1A1LMNAHSD17B10TSHRGAA |
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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110021636-A1 | METHOD FOR CRYSTALLIZATION OF 2-AMINO-2-[2-[4-(3-BENZYLOXYPHENYLTHIO)-2-CHLOROPHENYL]-ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE | KYORIN PHARMACEUTICAL CO., LTD. (JP) | 2011-01-27 | — | — | US | claimed |
| EP-2269982-A1 | METHOD FOR CRYSTALLIZATION OF 2-AMINO-2-Ý2-Ý4-(3- BENZYLOXYPHENYLTHIO)-2-CHLOROPHENYL¨ETHYL¨-1,3-PROPANEDIOL HYDROCHLORIDE | Kyorin Pharmaceutical Co., Ltd. (JP) | 2011-01-05 | — | — | EP | claimed |
| EP-3565817-B1 | SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | UNIV JOHNS HOPKINS (US) | 2023-06-07 | — | — | EP | disclosed |
| US-20200190089-A1 | SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) | 2020-06-18 | — | — | US | disclosed |
| EP-3565817-A1 | SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | The Johns Hopkins University (US) | 2019-11-13 | — | — | EP | disclosed |
| US-20190038604-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TOBIRA THERAPEUTICS, INC. (US) | 2019-02-07 | — | — | US | disclosed |
| WO-2018129405-A1 | SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (nSMase2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE JOHNS HOPKINS UNIVERSITY (US) | 2018-07-12 | — | — | WO | disclosed |
| US-9603833-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2017-03-28 | — | — | US | disclosed |
| US-20160008326-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-14 | — | — | US | disclosed |
| EP-1556389-B9 | CEPHEM COMPOUNDS | ASTELLAS PHARMA INC (JP) | 2015-09-09 | — | — | EP | disclosed |
| EP-2886534-A1 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-Tech Ueno, Ltd. (JP) | 2015-06-24 | — | — | EP | disclosed |
| US-6172061-B1 | AIDS THERAPY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |
| US-6166006-A | Anilide derivative, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-1040103-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| CN-1176785-A | Tricyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-03-25 | — | — | CN | disclosed |
| US-4400470-A | SYNERGISTIC EFFECT OF CLOSTRIDIUM THERMOCELLUM AND THERMOHYDROSULFURICUM | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1983-08-23 | — | — | 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-20160008326-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885LMNA 4328/4885HSD17B10 2514/4885 |
| US-20110021636-A1 | METHOD FOR CRYSTALLIZATION OF 2-AMINO-2-[2-[4-(3-BENZYLOXYPHENYLTHIO)-2-CHLOROPHENYL]-ETHYL]-1,3-PROPANEDIOL HYDROCHLORIDE | PKD2, PKD1, AASDHPPT | ALDH1A1 526/4885LMNA 2382/4885HSD17B10 196/4885 |
| US-20190038604-A1 | BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF | CCR5, CCR1, CCR2 | ALDH1A1 2749/4885LMNA 4285/4885HSD17B10 2532/4885 |
| US-20200190089-A1 | SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SMPD2, SPTLC2, SGMS2 | ALDH1A1 4149/4885LMNA 2641/4885HSD17B10 1760/4885 |
“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.