Butyric Acid

Butyric Acid

SCHEMBL4161016

CCCC(=O)O.CCN([C@H]1CCN(C)C1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 8/20 0.37
BRD4 O60885 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAF1 P21675 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
HTT P42858 1/20 0.34
SLC6A2 P23975 1/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 4/20 0.34
GAA P10253 2/20 0.34
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
Butyric Acid SCHEMBL4159661 1.00 RXFP1 (0.38) RXFP1KDM4EBRD4NPSR1TAF1
Butyric Acid SCHEMBL4166193 0.85 SLC6A2 (0.48) RXFP1KDM4ENPSR1HTTSLC6A2
Butyric Acid SCHEMBL4157864 0.85 SLC6A2 (0.48) RXFP1KDM4ENPSR1HTTSLC6A2
Butyric Acid SCHEMBL4155243 0.83 KDM4E (0.39) RXFP1KDM4ENPSR1HTTSLC6A2
Butyric Acid SCHEMBL4166911 0.83 RXFP1 (0.43) RXFP1KDM4EHPGDGAAMAPT
Butyric Acid SCHEMBL4161384 0.83 BRD4 (0.38) RXFP1KDM4EBRD4SLC6A2HPGD
Butyric Acid SCHEMBL4174319 0.83 BRD4 (0.38) RXFP1KDM4EBRD4SLC6A2HPGD
SCHEMBL4159660 0.82 HTR1D (0.35) RXFP1KDM4ENPSR1SLC6A2HPGD
SCHEMBL3251634 0.81 HPGD (0.41) RXFP1KDM4ENPSR1HTTHPGD
SCHEMBL3251638 0.81 HPGD (0.41) RXFP1KDM4ENPSR1HTTHPGD

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 2 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 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 RXFP1 3999/4885KDM4E 1970/4885BRD4 545/4885

“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.