Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL4469718

CC(=O)CC(C)C.CCCCCCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
CES2 O00748 8/20 0.45
CES1 P23141 3/20 0.44
EPHX1 P07099 1/20 0.44
GPR84 Q9NQS5 5/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42

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.

Compoundsimilaritytop predictedshared targets
Dodecane SCHEMBL28230254 1.00 ALDH1A1 (0.70) ALDH1A1TDP1CES2CES1EPHX1
Methyl Isobutyl Ketone SCHEMBL2340589 0.97 ALDH1A1 (0.74) ALDH1A1TDP1CES2CES1EPHX1
Methyl Isobutyl Ketone SCHEMBL5000849 0.97 ALDH1A1 (0.74) ALDH1A1TDP1CES2CES1EPHX1
Cetyl Alcohol SCHEMBL8391123 0.91 ALDH1A1 (0.58) ALDH1A1TDP1CES2EPHX1GPR84
2-Decanone SCHEMBL10511757 0.91 ALDH1A1 (0.58) ALDH1A1TDP1CES2CES1GPR84
Myristyl Alcohol SCHEMBL8390931 0.91 ALDH1A1 (0.58) ALDH1A1TDP1CES2EPHX1GPR84
Methyl Isobutyl Ketone SCHEMBL9045794 0.89 ALDH1A1 (0.61) ALDH1A1TDP1CES2CES1GPR84
Methyl Isobutyl Ketone SCHEMBL28201028 0.88 ALDH1A1 (0.54) ALDH1A1TDP1CES2CES1GPR84
Dodecanoate SCHEMBL27819984 0.88 GPR84 (0.65) ALDH1A1TDP1GPR84LMNAMEN1
Methyl Isobutyl Ketone SCHEMBL9056069 0.87 ALDH1A1 (0.82) ALDH1A1TDP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916246-A2 An improved process for the preparation of olmesartan medoxomil Cadila Pharmaceuticals Limited (IN) 2008-04-30 EP claimed
US-20240190882-A1 Crystalline Forms of 2-[3-[4-Amino-3-(2-Fluoro-4-Phenoxy-Phenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-YL]Piperidine-1-Carbonyl]-4,4-Dimethylpent-2-Enenitrile PRINCIPIA BIOPHARMA INC. (US) 2024-06-13 US disclosed
US-20230242505-A1 PROCESS, COMPOSITIONS, AND CRYSTALLINE FORMS OF SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11667641-B2 Crystalline forms of 2-[3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile PRINCIPIA BIOPHARMA INC. (US) 2023-06-06 US disclosed
US-20230149400-A1 METHODS AND COMPOSITIONSFOR TREATING VIRAL INFECTIONS ACLARIS THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20210205313-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4,4-DIMETHYLPENT-2-ENENITRILE PRINCIPIA BIOPHARMA INC. 2021-07-08 US disclosed
US-20210206772-A1 CRYSTALLINE FORMS OF 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4,4-DIMETHYLPENT-2-ENENITRILE PRINCIPIA BIOPHARMA INC. 2021-07-08 US disclosed
EP-1856111-B1 Purification of mupirocin SYNGEN BIOTECH CO LTD (TW) 2014-01-29 EP disclosed
CN-101679449-B Process for producing trans-dibenzoxenopyrrole compound and intermediate therefor SUMITOMO CHEMICAL CO 2012-05-30 CN disclosed
CN-101679449-A Process for producing trans-dibenzoxenopyrrole compound and intermediate therefor SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
US-7619102-B2 Purification of mupirocin AXELLIA PHARMACEUTICALS APS (DK) 2009-11-17 US disclosed
US-20080234503-A1 Purification of Mupirocin ALPHARMA APS (DK) 2008-09-25 US disclosed
EP-1856111-A1 PURIFICATION OF MUPIROCIN Alpharma APS (DK) 2007-11-21 EP disclosed
WO-2006087237-A1 PURIFICATION OF MUPIROCIN ALPHARMA APS (DK) 2006-08-24 WO disclosed
EP-1147210-A4 PROCESS FOR THE ISOLATION OF PSEUDOMONIC ACID A FROM PSEUDOMONIC ACID COMPLEX-CONTAINING CULTURE BROTH BIOGAL GYOGYSZERGYAR (HU) 2004-06-02 EP disclosed
EP-1147210-A1 PROCESS FOR THE ISOLATION OF PSEUDOMONIC ACID A FROM PSEUDOMONIC ACID COMPLEX-CONTAINING CULTURE BROTH Teva Gyogyszergyar Reszvenytarsasag (HU) 2001-10-24 EP disclosed
US-6245921-B1 SOLVENT EXTRACTION FROM A CULTURE OF PSEUDOMONAS BACTERIUM USING CHLORINATED HYDROCARBON OR ISOBUTYL ACETATE; PURIFICATION, HIGH RECOVERY YIELD BIOGAL GYOGYSZERGYAR RT. (HU) 2001-06-12 US disclosed
WO-2000046388-A1 PROCESS FOR THE ISOLATION OF PSEUDOMONIC ACID A FROM PSEUDOMONIC ACID COMPLEX-CONTAINING CULTURE BROTH BIOGAL GYOGYSZERGYAR RT. (HU) 2000-08-10 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 (6 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230242505-A1 PROCESS, COMPOSITIONS, AND CRYSTALLINE FORMS OF SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK6, MAPK1, MAPK8 ALDH1A1 4227/4885TDP1 248/4885CES2 4598/4885
US-20210205313-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4,4-DIMETHYLPENT-2-ENENITRILE TYR, DPM1, POLR1C ALDH1A1 283/4885TDP1 573/4885CES2 2591/4885
US-20210206772-A1 CRYSTALLINE FORMS OF 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4,4-DIMETHYLPENT-2-ENENITRILE BTK, LCK, SYK ALDH1A1 4588/4885TDP1 727/4885CES2 3472/4885
US-20230149400-A1 METHODS AND COMPOSITIONSFOR TREATING VIRAL INFECTIONS MAVS, CCL11, SARS1 ALDH1A1 2694/4885TDP1 4238/4885CES2 943/4885
US-20240190882-A1 Crystalline Forms of 2-[3-[4-Amino-3-(2-Fluoro-4-Phenoxy-Phenyl)-1H-Pyrazolo[3,4-D]Pyrimidin-1-YL]Piperidine-1-Carbonyl]-4,4-Dimethylpent-2-Enenitrile BTK, LCK, SYK ALDH1A1 4588/4885TDP1 727/4885CES2 3472/4885
US-11667641-B2 Crystalline forms of 2-[3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile BTK, LCK, SYK ALDH1A1 4595/4885TDP1 746/4885CES2 3469/4885

“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.