3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL4158440

CC(C)CC(=O)O.O=c1[nH]c2ccc(I)cc2c2cc[nH]c12

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA3 P34903 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRA4 P48169 3/20 0.36
GABRA6 Q16445 3/20 0.36
SERPINE1 P05121 1/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.33
PRKCZ Q05513 2/20 0.32
PIM1 P11309 1/20 0.32
GAA P10253 1/20 0.32

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
Propionic Acid SCHEMBL4169911 0.88 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
Butyric Acid SCHEMBL4166328 0.86 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4716605 0.83 PARP1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
3-Methylbutanoic Acid SCHEMBL4162528 0.83 PIM1 (0.43) KDM4EMEN1ALDH1A1MAPTHPGD
3-Methylbutanoic Acid SCHEMBL4163003 0.78 FASN (0.40) PTGS2
SCHEMBL4166122 0.77 MAPK10 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
Propionic Acid SCHEMBL4165125 0.73 PARP1 (0.47) KDM4EMEN1ALDH1A1MAPTHPGD
Propionic Acid SCHEMBL4155436 0.73 PIM3 (0.49) GABRA1GABRA3KDM4EMEN1ALDH1A1
Propionic Acid SCHEMBL4160624 0.73 MPO (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
Propionic Acid SCHEMBL4161694 0.72 PARP1 (0.46) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 GABRA1 3395/4885GABRG2 2327/4885GABRB3 2308/4885

“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.