Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Methyl Isobutyl Ketone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL26910412 | 0.97 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL28214947 | 0.97 | ALDH1A1 (0.78) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL28836144 | 0.91 | ALDH1A1 (0.88) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.91 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.91 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL108045 | 0.89 | ALDH1A1 (0.74) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL11761834 | 0.88 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2TSHRCYP2C19 | |
| Methyl Isobutyl Ketone SCHEMBL306141 | 0.88 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2CYP2C19SMN1; SMN2 | |
| Methyl Isobutyl Ketone SCHEMBL2560340 | 0.88 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2TSHRCYP2C19 |
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 215 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113336775-A | Synthesis method of cefotaxime intermediate | 湖北凌晟药业有限公司 | 2021-09-03 | — | — | CN | claimed |
| CN-108794342-A | Ammonium carboxylate salt compound, its crystal form, amorphous substance and preparation method thereof | 武汉朗来科技发展有限公司 | 2018-11-13 | — | — | CN | claimed |
| US-9096839-B2 | Compositions and methods of preparation thereof | ARTERIOCYTE MEDICAL SYSTEMS, INC. (US) | 2015-08-04 | — | — | US | claimed |
| CN-102911142-B | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2015-04-22 | — | — | CN | claimed |
| CN-102911142-A | Method for preparing 5-hydroxymethylfurfural | UNIV FUDAN | 2013-02-06 | — | — | CN | claimed |
| EP-1598337-B1 | METHOD OF OBTAINING AN ANTIEPILEPTIC AGENT | ESTEVE QUIMICA SA (ES) | 2012-05-09 | — | — | EP | claimed |
| US-20080044852-A1 | Compositions and methods of preparation thereof | GOLUB CAPITAL MARKETS LLC | 2008-02-21 | — | — | US | claimed |
| WO-2007127841-A2 | COMPOSITIONS AND METHODS OF PREPARATION THEREOF | ARTERIOCYTE MEDICAL SYSTEMS, INC. (US) | 2007-11-08 | — | — | WO | claimed |
| WO-2007127834-A2 | COMPOSITIONS AND METHODS OF PREPARATION THEREOF | MEDTRONIC, INC. (US) | 2007-11-08 | — | — | WO | claimed |
| US-7291746-B2 | Process for obtaining an antiepileptic agent | ESTEVE QUIMICA, S.A. (ES) | 2007-11-06 | — | — | US | claimed |
| US-20060142376-A1 | Method for obtaining an antiepileptic agent | ESTEVE QUIMICA, S.A. (ES) | 2006-06-29 | — | — | US | claimed |
| EP-1598337-A1 | METHOD OF OBTAINING AN ANTIEPILEPTIC AGENT | Farma-Lepori S.A. (ES) | 2005-11-23 | — | — | EP | claimed |
| EP-3831385-B1 | MANDELATE SALTS OF PIRLINDOLE ENANTIOMERS FOR USE IN MEDICINE | TECNIMEDE SOCIEDADE TECNICO MEDICINAL S (PT) | 2024-07-10 | — | — | EP | disclosed |
| CN-114660896-B | Composition for forming silicon-containing resist underlayer film, pattern forming method, and silicon compound | 信越化学工业株式会社 | 2024-06-11 | — | — | CN | disclosed |
| US-12001138-B2 | Composition for forming silicon-containing resist underlayer film and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2024-06-04 | — | — | US | disclosed |
| US-11934100-B2 | Composition for forming silicon-containing resist underlayer film and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2024-03-19 | — | — | US | disclosed |
| US-3966957-A | Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides | A. H. ROBINS COMPANY, INCORPORATED (US) | 1976-06-29 | — | — | US | disclosed |
| US-3963745-A | Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides | A. H. ROBINS COMPANY, INCORPORATED (US) | 1976-06-15 | — | — | US | disclosed |
| US-3957994-A | THEOPHYLLINE, 2-PYRROLIDONE, N-LOWER ALKYL-2-PYRROLIDONE | NELSON RESEARCH & DEVELOPMENT COMPANY (US) | 1976-05-18 | — | — | US | disclosed |
| US-3932653-A | FUNGAL INFECTIONS | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1976-01-13 | — | — | 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 (1 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-20060142376-A1 | Method for obtaining an antiepileptic agent | VKORC1, EPM2A, HNMT | ALDH1A1 181/4885TDP1 1963/4885CA2 121/4885 |
“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.