Butyric Acid

Butyric Acid

SCHEMBL143249

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

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 8/20 0.55
FFAR3 O14843 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CA1 P00915 1/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
CHRM2 P08172 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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 SCHEMBL144555 0.90 BBOX1 (0.61) BBOX1FFAR3HDAC3HDAC1HDAC2
Hexanoate SCHEMBL2761940 0.89 BBOX1 (0.59) BBOX1CA1TSHR
Propionic Acid SCHEMBL145939 0.87 BBOX1 (0.50) BBOX1CHRM4CHRM1CHRM3SCN1A
Octanoic Acid SCHEMBL2761784 0.87 BBOX1 (0.57) BBOX1CA1TSHR
Heptanoate SCHEMBL2762665 0.87 BBOX1 (0.57) BBOX1CA1TSHR
Dodecanoate SCHEMBL2762401 0.87 BBOX1 (0.57) BBOX1CA1TSHR
Decanoic Acid SCHEMBL2762145 0.87 BBOX1 (0.57) BBOX1CA1TSHR
Butyric Acid SCHEMBL144703 0.86 BBOX1 (0.55) BBOX1FFAR3HDAC3HDAC1HDAC2
Butyric Acid SCHEMBL141715 0.86 FFAR3 (0.52) BBOX1FFAR3HDAC3HDAC1HDAC2
Butyric Acid SCHEMBL141251 0.84 BBOX1 (0.56) BBOX1FFAR3HDAC3HDAC1HDAC2

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 BBOX1 416/4885FFAR3 1689/4885HDAC3 171/4885

“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.