Butane

Butane

SCHEMBL3202948

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2CCCP(=O)(O)O.CCCC

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORA P35398 9/20 0.54
RORC P51449 9/20 0.54
RORB Q92753 9/20 0.54
PGR P06401 8/20 0.54
NR1H2 P55055 1/20 0.40
DNMT1 P26358 3/20 0.39
CNR2 P34972 2/20 0.39
HTR1D P28221 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL31240191 0.96 RORA (0.51) RORARORCRORBPGRNR1H2
SCHEMBL3214427 0.96 RORA (0.51) RORARORCRORBPGRNR1H2
SCHEMBL31240086 0.92 RORA (0.50) RORARORCRORBPGRNR1H2
SCHEMBL31240116 0.90 RORA (0.49) RORARORCRORBPGRDNMT1
SCHEMBL31240166 0.90 RORA (0.49) RORARORCRORBPGRDNMT1
SCHEMBL31240146 0.87 RORA (0.47) RORARORCRORBPGRDNMT1
SCHEMBL3202959 0.80 RORA (0.50) RORARORCRORBPGRDNMT1
SCHEMBL31053765 0.79 PGR (0.40) RORARORCRORBPGRDNMT1
SCHEMBL31252307 0.79 RORA (0.49) RORARORCRORBPGRCNR2
SCHEMBL31265056 0.78 RORA (0.48) RORARORCRORBPGRNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8405069-B2 Printable thin-film transistors with high dielectric constant gate insulators and methods for producing same GEORGIA TECH RESEARCH CORPORATION (US) 2013-03-26 US disclosed
US-20100051917-A1 PRINTABLE THIN-FILM TRANSISTORS WITH HIGH DIELECTRIC CONSTANT GATE INSULATORS AND METHODS FOR PRODUCING SAME NATIONAL SCIENCE FOUNDATION 2010-03-04 US disclosed
US-20100027192-A1 COATED METAL OXIDE NANOPARTICLES AND METHODS FOR PRODUCING SAME GEORGIA TECH RESEARCH CORPORATION 2010-02-04 US disclosed
WO-2008060534-A1 PRINTABLE THIN-FILM TRANSISTORS WITH HIGH DIELECTRIC CONSTANT GATE INSULATORS AND METHODS FOR PRODUCING SAME GEORGIA TECH RESEARCH CORPORATION (US) 2008-05-22 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 (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-20100027192-A1 COATED METAL OXIDE NANOPARTICLES AND METHODS FOR PRODUCING SAME NCL, PNN, NCDN RORA 1730/4885RORC 1586/4885RORB 2220/4885

“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.