Butane

Butane

SCHEMBL6754592

C=C(Cl)CSC(N)=S.CCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.30

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
SCHEMBL28047927 0.91
Butane SCHEMBL7849041 0.69
Butane SCHEMBL27473484 0.69 NOS1 (0.52) CYP1A2
SCHEMBL4556033 0.69
SCHEMBL11058013 0.67 CYP1A2 (0.34) CYP1A2
SCHEMBL10670941 0.67 ALDH1A1 (0.64) ALDH1A1CYP3A4L3MBTL1
SCHEMBL7761112 0.66
SCHEMBL4553198 0.65
Butane SCHEMBL11337240 0.65
Methyl Alcohol SCHEMBL27259992 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3992532-A ALKALI LIGNINS, SOLVENTS, WATER INSOLUBLE TOXICANTS WESTVACO CORPORATION (US) 1976-11-16 US claimed
US-6703348-B2 CONTROLLING WEEDS; AGRICULTURE AVENTIS CROPSCIENCE GMBH (DE) 2004-03-09 US disclosed
US-20030104945-A1 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators AVENTIS CROPSCIENCE GMBH (DE) 2003-06-05 US disclosed
US-20020173424-A1 Heterocyclyl-substituted benzoylcyclohexandiones, their preparation, and their use as herbicides AVENTIS CROPSCIENCE GMBH (DE) 2002-11-21 US disclosed
US-6448201-B1 FOR THE SELECTIVE CONTROL OF BROAD-LEAVED WEEDS AND GRASS WEEDS IN CROPS OF USEFUL PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2002-09-10 US disclosed
US-3992532-A ALKALI LIGNINS, SOLVENTS, WATER INSOLUBLE TOXICANTS WESTVACO CORPORATION (US) 1976-11-16 US 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 (2 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-20030104945-A1 2,4-Diamino-1,3,5-triazines, their preparation, and their use as herbicides and plant growth regulators DDT, SAT1, DAZAP1 ALDH1A1 253/4885CYP3A4 1552/4885L3MBTL1 3547/4885
US-20020173424-A1 Heterocyclyl-substituted benzoylcyclohexandiones, their preparation, and their use as herbicides CBR1, CBR3, DDT ALDH1A1 649/4885CYP3A4 324/4885L3MBTL1 2079/4885

“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.