Methyl Isobutyl Ketone

Methyl Isobutyl Ketone

SCHEMBL358565

CC(=O)CC(C)C.CCOCC

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
TDP1 Q9NUW8 2/20 0.70
TSHR P16473 2/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
GAA P10253 1/20 0.33
CES2 O00748 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
Methyl Isobutyl Ketone SCHEMBL28689973 0.95 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCA2LMNA
Methyl Isobutyl Ketone SCHEMBL105947 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
Methyl Isobutyl Ketone SCHEMBL139429 0.85 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
Methyl Isobutyl Ketone SCHEMBL15458 0.84
Methyl Isobutyl Ketone SCHEMBL1580340 0.84
Methyl Isobutyl Ketone SCHEMBL1128055 0.84 ALDH1A1 (1.00) ALDH1A1TDP1CA2MMP1MMP2
Ether SCHEMBL28945221 0.82 CYP2C19 (0.46) ALDH1A1TDP1TSHRCA2LMNA
Methyl Isobutyl Ketone SCHEMBL10817055 0.82 ALDH1A1 (0.70) ALDH1A1TDP1TSHRLMNAHSD17B10
Methyl Isobutyl Ketone SCHEMBL306141 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CA2CYP2C19
Methyl Isobutyl Ketone SCHEMBL9056069 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CA2MMP1MMP2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009060318-A2 POLYMORPHIC FORMS OF RAMELTEON AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 WO claimed
US-20090105490-A1 Polymorphic forms of ramelteon and processes for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-23 US claimed
US-11958805-B2 Solid forms comprising an oxime ether compound, compositions and methods of use thereof NOVARTIS AG (CH) 2024-04-16 US disclosed
CN-116425981-A Metal/metalloid-containing polymers and methods of making and using same 上海邃铸科技有限公司 2023-07-14 CN disclosed
CN-108794342-B Ammonium carboxylate compound, crystal form and amorphous form thereof and preparation method thereof 武汉朗来科技发展有限公司 2023-04-14 CN disclosed
EP-3611160-B1 AMMONIUM CARBOXYLATE COMPOUND, CRYSTAL FORM AND AMORPHOUS SUBSTANCE THEREOF, AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2023-03-29 EP disclosed
US-11161803-B2 Ammonium carboxylate compound, crystalline form, amorphous form and preparation method thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2021-11-02 US disclosed
CN-109219607-B Crystalline forms of succinate salt of dipeptidyl peptidase-IV inhibitor 吉林惠升生物制药有限公司 2021-03-30 CN disclosed
US-20200377454-A1 Solid Forms Comprising An Oxime Ether Compound, Compositions and Methods of Use Thereof NOVARTIS INTERNATIONAL PHARMACEUTICAL AG (CH) 2020-12-03 US disclosed
US-20200055812-A1 AMMONIUM CARBOXYLATE COMPOUND, CRYSTALLINE FORM, AMORPHOUS FORM AND PREPARATION METHOD THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2020-02-20 US disclosed
EP-3611160-A1 AMMONIUM CARBOXYLATE COMPOUND, CRYSTAL FORM AND AMORPHOUS SUBSTANCE THEREOF, AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2020-02-19 EP disclosed
EP-2415594-A1 DECORATIVE MEMBER Fujikura, Ltd. (JP) 2012-02-08 EP disclosed
US-20120015180-A1 DECORATIVE MEMBER FUJIKURA LTD. (JP) 2012-01-19 US disclosed
EP-2064067-A1 INK, INK CARTRIDGE, INK JET RECORDING APPARATUS, AND INK JET RECORDING METHOD Ricoh Company, Ltd. (JP) 2009-06-03 EP disclosed
WO-2009060318-A2 POLYMORPHIC FORMS OF RAMELTEON AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-14 WO disclosed
US-20090105490-A1 Polymorphic forms of ramelteon and processes for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-23 US disclosed
WO-2008035797-A1 INK, INK CARTRIDGE, INK JET RECORDING APPARATUS, AND INK JET RECORDING METHOD RICOH COMPANY, LTD. (JP) 2008-03-27 WO disclosed
US-20070293514-A1 Triazolopyrimidines BAYER CROPSCIEMCE AG (DE) 2007-12-20 US disclosed
CN-101044123-A Pyrimidine derivatives condensed with non-aromatic rings ASTELLAS PHARMA INC (JP) 2007-09-26 CN disclosed
US-4098844-A ADDITION COPOLYMER STABILIZED WITH AN ISOCYANATE-CONTAINING POLYMER DAI NIPPON TORYO CO., LTD. (JP) 1978-07-04 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 (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-11958805-B2 Solid forms comprising an oxime ether compound, compositions and methods of use thereof CYP2E1, CYP2C9, CYP3A43 ALDH1A1 343/4885TDP1 2405/4885TSHR 1946/4885
US-20200377454-A1 Solid Forms Comprising An Oxime Ether Compound, Compositions and Methods of Use Thereof CYP2E1, CYP2C9, CYP3A43 ALDH1A1 343/4885TDP1 2405/4885TSHR 1946/4885
US-20090105490-A1 Polymorphic forms of ramelteon and processes for preparation thereof CYP2D6, CYP2B6, CYP3A43 ALDH1A1 2850/4885TDP1 1162/4885TSHR 3061/4885
US-20070293514-A1 Triazolopyrimidines QDPR, DPYD, Q6ZSR9 ALDH1A1 1155/4885TDP1 55/4885TSHR 1273/4885
US-11161803-B2 Ammonium carboxylate compound, crystalline form, amorphous form and preparation method thereof ACMSD, ADSL, AMD1 ALDH1A1 1026/4885TDP1 2339/4885TSHR 4422/4885
US-20200055812-A1 AMMONIUM CARBOXYLATE COMPOUND, CRYSTALLINE FORM, AMORPHOUS FORM AND PREPARATION METHOD THEREOF ACMSD, ADSL, AMD1 ALDH1A1 1026/4885TDP1 2339/4885TSHR 4422/4885

“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.