Butyric Acid

Butyric Acid

SCHEMBL144922

CCCC(=O)[O-].COCC[N+](C)(C)C

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
ADRA1A P35348 2/20 0.45
ADRA2A P08913 1/20 0.45
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
BBOX1 O75936 3/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
HTR1A P08908 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
PGR P06401 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.

Compoundsimilaritytop predictedshared targets
Valeric Acid SCHEMBL145879 0.89 CA1 (0.55) ADRA1AADRA2AMAPTBLMBBOX1
Propionic Acid SCHEMBL145397 0.86 CHRM5 (0.45) ADRA1AADRA2AMAPTBLMBBOX1
Butyric Acid SCHEMBL141251 0.85 BBOX1 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL143567 0.85 BBOX1 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL145420 0.83 FFAR3 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL141715 0.83 FFAR3 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL17418320 0.81 ADRA2A (0.42) ADRA1AADRA2AMAPTBLMBBOX1
SCHEMBL17418490 0.81 ADRA2A (0.42) ADRA1AADRA2AMAPTBLMBBOX1
SCHEMBL17418300 0.81 ADRA2A (0.42) ADRA1AADRA2AMAPTBLMBBOX1
Acetic Acid SCHEMBL17186677 0.81 CHRM5 (0.54) ADRA1AADRA2AMAPTBLMCHRM5

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
US-20120058057-A1 Anti-dandruff Agents MERCK PATENT GMBH (DE) 2012-03-08 US claimed
WO-2010136104-A2 ANTI-DANDRUFF AGENTS MERCK PATENT GMBH (DE) 2010-12-02 WO claimed
US-20120058057-A1 Anti-dandruff Agents MERCK PATENT GMBH (DE) 2012-03-08 US disclosed
WO-2010136104-A2 ANTI-DANDRUFF AGENTS MERCK PATENT GMBH (DE) 2010-12-02 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 (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-20120058057-A1 Anti-dandruff Agents POLR1C, ETF1, PIK3C3 FFAR3 1689/4885HDAC3 171/4885HDAC1 226/4885

“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.