Butyric Acid

Butyric Acid

SCHEMBL3395553

CCCC(=O)O.CCCCCC.CCNCC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Butyric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.62
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
AKR1B1 P15121 1/20 0.61
GPR84 Q9NQS5 7/20 0.58
PPARG P37231 7/20 0.58
PPARD Q03181 7/20 0.58
PPARA Q07869 7/20 0.58
HDAC11 Q96DB2 5/20 0.58
TSHR P16473 4/20 0.58
PTPN1 P18031 3/20 0.58
FABP4 P15090 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TLR2 O60603 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
KMT2A Q03164 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58

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 SCHEMBL5874704 0.93 HDAC3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL5875370 0.91 AKR1B1 (0.76) AKR1B1GPR84PPARGPPARDPPARA
Butyric Acid SCHEMBL9351884 0.90 HDAC3 (0.68) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL8072838 0.90 HDAC3 (0.68) FFAR3HDAC3HDAC1HDAC2HDAC8
Heptanoate SCHEMBL5874166 0.88 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Nonanoate SCHEMBL5874969 0.88 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL557515 0.88 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL8469342 0.88 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL4910739 0.88 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA
Undecanoate SCHEMBL21145320 0.88 GPR84 (0.77) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed
US-7262172-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-08-28 US disclosed
EP-1328535-B1 MACROLIDES GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20070066544-A1 3-Decladinosyl 9a-n-carbamoyl and 9a-n-thiocarbamoyl derivatives of 9-deoxo-9-dihydro-9a-aza-9a-homoerythromycin a GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-03-22 US disclosed
US-20040254124-A1 Macrolides PLIVA D.D. (HR) 2004-12-16 US disclosed
EP-1328535-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-07-23 EP disclosed
EP-1070077-B1 15-MEMBERED LACTAMS KETOLIDES WITH ANTIBACTERIAL ACTIVITY PLIVA PHARM & CHEM WORKS (HR) 2003-05-28 EP disclosed
WO-2002032917-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2002-04-25 WO disclosed
EP-1070077-A1 15-MEMBERED LACTAMS KETOLIDES WITH ANTIBACTERIAL ACTIVITY Pliva, Farmaceutska, Industrija, Dionicko Drustvo (HR) 2001-01-24 EP disclosed
US-6110965-A USEFUL FOR TREATING BACTERIAL INFECTIONS IN HUMANS AND ANIMALS PLIVA, FARMACEUTSKA, KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 2000-08-29 US disclosed
WO-1999051616-A1 15-MEMBERED LACTAMS KETOLIDES WITH ANTIBACTERIAL ACTIVITY PLIVA, FARMACEUTSKA, INDUSTRIJA, DIONICKO DRUSTVO (HR) 1999-10-14 WO disclosed
EP-0153803-A2 Triazole antifungal agents Pfizer Limited (GB) 1985-09-04 EP 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 (2 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-20040254124-A1 Macrolides OGFOD1, TLR7, MALT1 FFAR3 277/4885HDAC3 51/4885HDAC1 138/4885
US-20070066544-A1 3-Decladinosyl 9a-n-carbamoyl and 9a-n-thiocarbamoyl derivatives of 9-deoxo-9-dihydro-9a-aza-9a-homoerythromycin a DDOST, DHCR7, DAD1 FFAR3 2950/4885HDAC3 424/4885HDAC1 613/4885

“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.