Propionic Acid

Propionic Acid

SCHEMBL142732

CCC(=O)[O-].CC[N+](C)(C)CCOC

nearest known ligand 0.52

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 8/20 0.52
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
DNM1 Q05193 2/20 0.31
HTT P42858 1/20 0.31
ESR1 P03372 1/20 0.31
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
Acetic Acid SCHEMBL2761986 0.90 BBOX1 (0.48) BBOX1KMT2ACYP2C19DNM1HTT
Butyric Acid SCHEMBL143567 0.87 BBOX1 (0.56) BBOX1FFAR3HDAC3HDAC1HDAC2
Propionic Acid SCHEMBL147098 0.84 BBOX1 (0.52) BBOX1KMT2AMEN1CYP2C19RECQL
Valeric Acid SCHEMBL145773 0.84 BBOX1 (0.62) BBOX1KMT2ADNM1HTTFFAR3
Propionic Acid SCHEMBL145397 0.83 CHRM5 (0.45) BBOX1KMT2AMEN1CYP2C19RECQL
Hexanoate SCHEMBL2762073 0.83 BBOX1 (0.61) BBOX1KMT2ADNM1HTTHSP90AA1
SCHEMBL119566 0.82
Propionic Acid SCHEMBL146195 0.82 BBOX1 (0.50) BBOX1KMT2AMEN1CYP2C19RECQL
Propionic Acid SCHEMBL142757 0.82 CHRM2 (0.37) BBOX1KMT2AMEN1CYP2C19RECQL
Dodecanoate SCHEMBL2762115 0.81 BBOX1 (0.59) BBOX1KMT2ADNM1HTTHSP90AA1

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 416/4885KMT2A 3349/4885MEN1 4642/4885

“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.