3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL4085197

CC(C)CC(=O)O.COc1cc(C)ccc1O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.49
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B2 P37059 2/20 0.47
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
RAB9A P51151 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL15093413 0.87 GAA (0.53) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL4085617 0.85 TSHR (0.50) GAATSHRALDH1A1NFKB1TDP1
Propionic Acid SCHEMBL4084212 0.84 GAA (0.58) GAATSHRALDH1A1NFKB1TDP1
Glycolic Acid SCHEMBL10811061 0.84 GAA (0.58) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL4094508 0.84 TSHR (0.57) GAATSHRALDH1A1NFKB1TDP1
Acetic Acid SCHEMBL4091903 0.82 HTT (0.59) GAATSHRALDH1A1NFKB1TDP1
Vanillin SCHEMBL19900388 0.81 ALDH1A1 (0.69) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL15092857 0.81 TSHR (0.54) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL16913399 0.80 HTT (0.58) GAATSHRALDH1A1NFKB1TDP1
Butyric Acid SCHEMBL4090517 0.80 TSHR (0.54) GAATSHRALDH1A1NFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP claimed
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 GAA 2533/4885TSHR 4345/4885ALDH1A1 967/4885

“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.