Butane

Butane

SCHEMBL1043809

CCCC.O=C(O)CC(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ATM Q13315 1/20 0.44
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44

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
SCHEMBL28327548 0.94 KDM4E (0.54) FAAHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15765735 0.87 KDM4E (0.57) FAAHKDM4EMAPTLMNAPPARG
SCHEMBL1995788 0.84 FAAH (0.53) FAAHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1799848 0.84 ACHE (0.56) FAAHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15763956 0.83 LMNA (0.53) FAAHCYP1A2CYP3A4CYP2D6CYP2C19
Butane SCHEMBL1043698 0.82 KIF11 (0.47) MAPTLMNAPPARGPPARAALDH1A1
SCHEMBL1997128 0.82 FAAH (0.57) FAAHCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8538665 0.81 KDM4E (0.52) FAAHKDM4EMAPTLMNAPPARG
SCHEMBL7717088 0.79 LMNA (0.46) KDM4EMAPTLMNAALDH1A1
Butane SCHEMBL453103 0.78 ELANE (0.50) FAAHMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275395-B1 Copper-catalyzed formation of carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-09 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
EP-2275395-A2 Copper-catalyzed formation of carbon-carbon bonds Massachusetts Institute of Technology (MIT) (US) 2011-01-19 EP disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 EP disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 EP disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 FAAH 1486/4885CYP1A2 40/4885CYP3A4 184/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 FAAH 1508/4885CYP1A2 46/4885CYP3A4 179/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 FAAH 1486/4885CYP1A2 40/4885CYP3A4 184/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 FAAH 1486/4885CYP1A2 40/4885CYP3A4 184/4885

“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.