Butane

Butane

SCHEMBL3319065

CCCC.NC(OC(=O)CC(=O)O)OC(=O)CC(=O)O

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32

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
SCHEMBL4438448 0.91 LDHA (0.40) LDHASRRGABRPGABRDGABRA1
Butane SCHEMBL452862 0.80 LMNA (0.50) FFAR3ALDH1A1HDAC3HDAC1HDAC2
Butane SCHEMBL3687712 0.80 LDHA (0.35) FFAR3ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL27477349 0.77 GABRP (0.39) ALDH1A1LDHASRRGABRPGABRD
Butane SCHEMBL6048742 0.77 CTSK (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
Butane SCHEMBL15549607 0.77 FAAH (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
Butane SCHEMBL321302 0.75 THRB (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
Butane SCHEMBL10826497 0.75 ALOX15 (0.36) FFAR3ALDH1A1HDAC3HDAC1HDAC2
Butane SCHEMBL8404111 0.75 FAAH (0.47) FFAR3ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL4530691 0.75 GRIK1 (0.46) ALDH1A1FAAHCNR1CNR2SLC1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255966-A Preparation method of high-temperature-resistant weather-resistant polyurethane 安徽恒光聚氨酯材料有限公司 2024-06-28 CN disclosed
US-10954231-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2021-03-23 US disclosed
US-10233181-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2019-03-19 US disclosed
WO-2018102885-A1 MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AND USES THEREOF BIONOMICS LIMITED (AU) 2018-06-14 WO disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 US disclosed
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 US disclosed
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 US disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 US disclosed
US-9573945-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2017-02-21 US disclosed
EP-2540722-B1 Novel anxiolytic compounds BIONOMICS LTD (AU) 2016-06-08 EP disclosed
EP-2540722-A1 Novel anxiolytic compounds Bionomics Limited (AU) 2013-01-02 EP disclosed
EP-2074123-B1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LTD (AU) 2012-12-05 EP disclosed
US-8293737-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2012-10-23 US disclosed
WO-2012116410-A1 METHODS OF TREATING A DISEASE OR CONDITION OF THE CENTRAL NERVOUS SYSTEM BIONOMICS LIMITED (AU) 2012-09-07 WO disclosed
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2010-04-29 US disclosed
EP-2074123-A1 NOVEL ANXIOLYTIC COMPOUNDS Bionomics Limited (AU) 2009-07-01 EP disclosed
WO-2008046135-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2008-04-24 WO disclosed
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed
EP-0270494-A2 Certain cycloalka- [b]-pyrazolo-[3,4-d]-pyridin-3-one derivatives CIBA-GEIGY AG (CH) 1988-06-08 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 (6 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-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 FFAR3 1385/4885ALDH1A1 247/4885HDAC3 245/4885
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 FFAR3 1422/4885ALDH1A1 270/4885HDAC3 277/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 FFAR3 1834/4885ALDH1A1 190/4885HDAC3 333/4885
US-20100105678-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 FFAR3 1422/4885ALDH1A1 270/4885HDAC3 277/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 FFAR3 1422/4885ALDH1A1 270/4885HDAC3 277/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 FFAR3 1958/4885ALDH1A1 195/4885HDAC3 239/4885

“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.