3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL467274

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CACNA2D1 P54289 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
CA2 P00918 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 1/20 0.42
FFAR3 O14843 1/20 0.41
TSHR P16473 1/20 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.

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779477-B Method for producing isobutene from 3-methylcrotonyl-CoA 环球生物能源公司 2022-12-13 CN disclosed
WO-2022203350-A1 METHOD AND DIAGNOSIS DEVICE FOR DETERMINING PRESENCE OR ABSENCE OF ATOPY USING MACHINE LEARNING MODEL 주식회사 에이치이엠파마 2022-09-29 WO disclosed
WO-2022203351-A1 METHOD AND DIAGNOSTIC DEVICE FOR DETERMINING PRESENCE OR ABSENCE OF ENTERITIS USING MACHINE LEARNING MODEL 주식회사 에이치이엠파마 2022-09-29 WO disclosed
WO-2022203306-A1 METHOD AND DIAGNOSTIC DEVICE FOR DETERMINING HYPERGLYCEMIA BY USING MACHINE LEARNING MODEL 주식회사 에이치이엠파마 2022-09-29 WO disclosed
WO-2022203307-A1 METHOD FOR DETERMINING WHETHER OBESITY IS PRESENT, BY USING MACHINE LEARNING MODEL, AND DIAGNOSTIC DEVICE 주식회사 에이치이엠파마 2022-09-29 WO disclosed
WO-2022203353-A1 METHOD AND DIAGNOSTIC DEVICE FOR DETERMINING PRESENCE OR ABSENCE OF CONSTIPATION USING MACHINE LEARNING MODEL 주식회사 에이치이엠파마 2022-09-29 WO disclosed
WO-2022085941-A1 METHOD AND APPARATUS FOR DIAGNOSING PRESENCE OR ABSENCE OF COLON POLYPS BY USING MACHINE LEARNING MODEL 주식회사 에이치이엠파마 2022-04-28 WO disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-10822628-B2 Production of thapsigargins by thapsia cell suspension culture PHYTON HOLDINGS, LLC (US) 2020-11-03 US disclosed
EP-3077523-B1 PRODUCTION OF THAPSIGARGINS BY THAPSIA CELL SUSPENSION CULTURE PHYTON HOLDINGS LLC (US) 2020-05-06 EP disclosed
US-20110118363-A1 Adhesive Composition EUROMED INC. (US) 2011-05-19 US disclosed
US-20110087038-A1 PROCESS AND DEVICE FOR THE OXIDATION OF ORGANIC COMPOUNDS BASF SE (DE) 2011-04-14 US disclosed
WO-2011044449-A1 ADHESIVE COMPOSITION EUROMED, INC. (US) 2011-04-14 WO disclosed
EP-2307409-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2011-04-13 EP disclosed
EP-2300525-A1 STORAGE-STABLE AQUEOUS EMULSIONS AND LIQUID BLENDS WITH LOW VISCOSITY AS STABILIZERS BASF SE (DE) 2011-03-30 EP disclosed
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-24 US disclosed
US-20110020472-A1 NON-AQUEOUS GENERATION OF CHLORINE DIOXIDE DIVERSEY, INC. (US) 2011-01-27 US disclosed
WO-2011002298-A2 ANIMAL FEED OR HUMAN FOOD FOR IMPROVING INTESTINAL BARRIER PROPERTIES NUTRECO NEDERLAND B.V. (NL) 2011-01-06 WO disclosed
EP-2269472-A1 Animal feed for improving intestinal barrier properties Nutreco Nederland B.V. (NL) 2011-01-05 EP disclosed
US-20090092975-A1 SELECTABLE MARKER MOLOGIC LTD (GB) 2009-04-09 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090092975-A1 SELECTABLE MARKER AMD1, PADI1, PSAT1 TDP1 55/4885ALDH1A1 46/4885CACNA2D1 3960/4885
US-20110020472-A1 NON-AQUEOUS GENERATION OF CHLORINE DIOXIDE CLIC1, CLIC4, CAT TDP1 4421/4885ALDH1A1 1599/4885CACNA2D1 2438/4885
US-20110070317-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B TDP1 184/4885ALDH1A1 2477/4885CACNA2D1 3023/4885

“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.