Butane

Butane

SCHEMBL247698

CC(O[PH](=O)O)c1ccccc1.CCCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
POLB P06746 2/20 0.41
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 1/20 0.38
LTB4R Q15722 5/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL2819632 0.93 HCAR2 (0.44) FFAR1POLBHCAR2LMNAKMT2A
Butane SCHEMBL4824910 0.84 POLB (0.42) POLBLMNAKMT2AMEN1
Butane SCHEMBL23346235 0.82 POLB (0.45) POLBLMNAKMT2A
SCHEMBL28980059 0.77 HCAR2 (0.43) FFAR1HCAR2LMNAKMT2A
SCHEMBL2819629 0.77 HCAR2 (0.43) FFAR1HCAR2LMNAKMT2A
SCHEMBL28980079 0.76 LMNA (0.44) POLBLMNAKMT2AMEN1TRPA1
SCHEMBL15898694 0.75 POLB (0.43) POLBLMNAPPARGPPARA
SCHEMBL28980086 0.74 ADRB2 (0.42) POLBKMT2AMEN1
SCHEMBL27850458 0.74 HTT (0.34) LMNAKMT2AMEN1
SCHEMBL767298 0.72 ESR1 (0.40) POLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545583-B1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MAT US LLC (US) 2020-05-13 EP claimed
US-8906774-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2014-12-09 US claimed
EP-2545583-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS Dynaloy, LLC (US) 2013-01-16 EP claimed
US-20120003826-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MATERIALS US, LLC 2012-01-05 US claimed
WO-2011112546-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2011-09-15 WO claimed
CN-113845754-B Preparation method of epoxy resin electronic and electric insulating material 广东博汇新材料科技有限公司 2022-07-08 CN disclosed
CN-113817291-B Carbon fiber vacuum infusion epoxy resin 广东博汇新材料科技有限公司 2022-07-08 CN disclosed
CN-113845754-A Preparation method of epoxy resin electronic and electric insulating material 广东博汇新材料科技股份有限公司 2021-12-28 CN disclosed
CN-113817291-A Carbon fiber vacuum infusion epoxy resin 广东博汇新材料科技股份有限公司 2021-12-21 CN disclosed
EP-2545583-B1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MAT US LLC (US) 2020-05-13 EP disclosed
EP-2321287-B1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-11-11 EP disclosed
US-8906774-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2014-12-09 US disclosed
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
US-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES HOFFMANN-LA ROCHE INC. 2010-02-04 US disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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 (4 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-20100029589-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R FFAR1 116/4885POLB 2084/4885HCAR2 250/4885
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R FFAR1 55/4885POLB 3079/4885HCAR2 109/4885
US-20100041686-A1 4,5-DIHYDRO-OXAZOL-2YL DERIVATIVES NPY5R, NPY1R, NPY4R FFAR1 116/4885POLB 2084/4885HCAR2 250/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R FFAR1 55/4885POLB 3079/4885HCAR2 109/4885

“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.