Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29974495 | 1.00 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Water SCHEMBL5512181 | 0.98 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL3152265 | 0.89 | TSHR (0.64) | ALDH1A1SMN1; SMN2LMNATDP1TSHR | |
| O-Xylene SCHEMBL30856513 | 0.88 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| O-Xylene SCHEMBL5134935 | 0.88 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL2045309 | 0.88 | MYC (0.52) | ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1 | |
| SCHEMBL27535668 | 0.88 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL7021090 | 0.88 | CA2 (0.50) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Sulfuric Acid SCHEMBL27462493 | 0.87 | TSHR (0.61) | SMN1; SMN2LMNATDP1TSHRCYP2D6 | |
| Toluene SCHEMBL180605 | 0.86 | MYC (0.47) | SMN1; SMN2LMNATDP1TSHRGAA |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411350-B1 | DEHYDRATION OF 1-PHENYL ETHANOL | LYONDELL CHEMICAL TECH LP (US) | 2013-05-29 | — | — | EP | claimed |
| EP-2411350-A1 | DEHYDRATION OF 1-PHENYL ETHANOL | Lyondell Chemical Technology, L.P. (US) | 2012-02-01 | — | — | EP | claimed |
| US-8088963-B2 | Dehydration of 1-phenyl ethanol | LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) | 2012-01-03 | — | — | US | claimed |
| WO-2010110841-A1 | DEHYDRATION OF 1-PHENYL ETHANOL | LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) | 2010-09-30 | — | — | WO | claimed |
| US-20100240939-A1 | Dehydration of 1- Phenyl Ethanol | LYONDELL CHEMICAL TECHNOLOGY, L.P. | 2010-09-23 | — | — | US | claimed |
| CN-106000458-B | A kind of efficient multiphase difunction catalyst and preparation method thereof | 北京化工大学 | 2019-02-12 | — | — | CN | disclosed |
| CN-106928033-A | A kind of negative dielectric anisotropic liquid crystal compound, composition and its application | 北京八亿时空液晶科技股份有限公司 | 2017-07-07 | — | — | CN | disclosed |
| EP-2991972-A1 | 5-(HYDROXYMETHYL) FURAN-2-CARBALDEHYDE (HMF) SULFONATES AND PROCESS FOR SYNTHESIS THEREOF | Archer Daniels Midland Company (US) | 2016-03-09 | — | — | EP | disclosed |
| WO-2014179156-A1 | 5-(HYDROXYMETHYL) FURAN-2-CARBALDEHYDE (HMF) SULFONATES AND PROCESS FOR SYNTHESIS THEREOF | ARCHER DANIELS MIDLAND COMPANY (US) | 2014-11-06 | — | — | WO | disclosed |
| US-8778937-B2 | Benzimidazole boronic acid derivatives as PI3 kinase inhibitors | GLAXOSMITHKLINE LLC (US) | 2014-07-15 | — | — | US | disclosed |
| US-20130157977-A1 | Benzimidazole Boronic Acid Derivatives As PI3 Kinase Inhibitors | GLAXOSMITHKLINE LLC (US) | 2013-06-20 | — | — | US | disclosed |
| US-8435988-B2 | Benzimidazole derivatives as P13 kinase inhibitors | GLAXOSMITHKLINE LLC (US) | 2013-05-07 | — | — | US | disclosed |
| US-7994185-B2 | Benzene sulfonamide thiazole and oxazole compounds | Glaxo Smith Kline LLC (US) | 2011-08-09 | — | — | US | disclosed |
| US-20110172215-A1 | Benzene Sulfonamide Thiazole And Oxazole Compounds | NOVARTIS AG (CH) | 2011-07-14 | — | — | US | disclosed |
| WO-2011059610-A1 | BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-05-19 | — | — | WO | disclosed |
| US-20110098296-A1 | Thiazole And Oxazole Kinase Inhibitors | GLAXOSMITHKLINE LLC | 2011-04-28 | — | — | US | disclosed |
| WO-2011026937-A1 | PROCESS FOR PREPARING 1-PHENYLPYRAZOLES | BASF SE (DE) | 2011-03-10 | — | — | WO | disclosed |
| EP-2282636-A2 | BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-02-16 | — | — | EP | disclosed |
| CN-101939411-A | Compositions methods and kits for enhancing immune response to a respiratory condition | PROCTER & GAMBLE | 2011-01-05 | — | — | CN | disclosed |
| WO-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | 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 (3 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-20110098296-A1 | Thiazole And Oxazole Kinase Inhibitors | PDXK, MAP3K1, MAP4K2 | ALDH1A1 3014/4885SMN1; SMN2 4117/4885LMNA 3516/4885 |
| US-20110172215-A1 | Benzene Sulfonamide Thiazole And Oxazole Compounds | STS, TST, TPST2 | ALDH1A1 915/4885SMN1; SMN2 2314/4885LMNA 3854/4885 |
| US-20130157977-A1 | Benzimidazole Boronic Acid Derivatives As PI3 Kinase Inhibitors | PI4KB, PI4KA, PIK3CB | ALDH1A1 1470/4885SMN1; SMN2 900/4885LMNA 4560/4885 |
“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.