Butane

Butane

SCHEMBL1850484

BrOBr.CC=O.CCCC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADH1B P00325 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 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
Butane SCHEMBL705926 0.84
Butane SCHEMBL28317506 0.80
Acetaldehyde SCHEMBL8666989 0.71
Pentane SCHEMBL4667362 0.69 TSHR (0.58) TSHRALDH1A1MAPK1TDP1ADH1B
Pentane SCHEMBL5367252 0.69
Butane SCHEMBL3942609 0.68
Acetaldehyde SCHEMBL27405999 0.68
Butane SCHEMBL3850680 0.68
Nonane SCHEMBL4543993 0.67 TSHR (0.61) TSHRALDH1A1ADH1BADH1AADH7
Acetaldehyde SCHEMBL28753903 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
EP-2324020-A2 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-05-25 EP disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 TSHR 3122/4885ALDH1A1 2272/4885MAPK1 193/4885

“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.