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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
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 SCHEMBL27722560 | 0.98 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL130336 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL3776197 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL15194119 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL6544884 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL16332300 | 0.96 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL1873691 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL1057423 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Cyclohexane SCHEMBL11112885 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB | |
| Ethyl Acetate SCHEMBL3909115 | 0.94 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRPOLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106064090-A | With halogenated hydrocarbon organic waste gas purifying catalyst preparation method of | 西安昕罗新能源科技有限公司 | 2016-11-02 | — | — | CN | disclosed |
| US-8809539-B2 | Dicarboxylic acid derivatives as S1P1 receptor agonists | BIOPROJET (FR) | 2014-08-19 | — | — | US | disclosed |
| EP-2365974-B1 | FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME | SNU R&DB FOUNDATION (KR) | 2013-12-25 | — | — | EP | disclosed |
| US-20110250136-A1 | FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME | SNU R&DB FOUNDATION (KR) | 2011-10-13 | — | — | US | disclosed |
| EP-2365974-A1 | FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME | SNU R&DB Foundation (KR) | 2011-09-21 | — | — | EP | disclosed |
| US-20100249187-A1 | NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS | BIOPROJET (FR) | 2010-09-30 | — | — | US | disclosed |
| WO-2010053218-A1 | FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME | SNU R&DB FOUNDATION (KR) | 2010-05-14 | — | — | WO | 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-20110250136-A1 | FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME | APBA1, APP, PSEN1 | ALDH1A1 629/4885LMNA 2602/4885HSD17B10 1673/4885 |
| US-20100249187-A1 | NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS | S1PR1, S1PR2, S1PR5 | ALDH1A1 1608/4885LMNA 3659/4885HSD17B10 1657/4885 |
“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.