Butane

Butane

SCHEMBL4869015

CCCC.CCOC(C)OCC.O=Cc1cc(Br)co1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35

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
Ethylene SCHEMBL5863228 0.94 LMNA (0.35) LMNA
Butane SCHEMBL9375735 0.84 LMNA (0.36) LMNA
Butane SCHEMBL4872897 0.82 LMNA (0.35) LMNA
Butane SCHEMBL4879858 0.82 LMNA (0.35) LMNA
Furfural SCHEMBL5622383 0.73 ALDH1A1 (0.56) LMNA
Furfural SCHEMBL4869864 0.69 ALDH1A1 (0.60) LMNA
SCHEMBL569625 0.68 LMNA (0.43) LMNA
Butane SCHEMBL818136 0.67 LMNA (0.63) LMNA
Butane SCHEMBL2557609 0.67 LMNA (0.63) LMNA
SCHEMBL6712899 0.67 ALDH1A1 (0.62) LMNA

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-20080188671-A1 Simple, inexpensive synthesis of high yield and purity Suzuki coupling compounds; inhibiting rearrangement ARCHIMICA GMBH (DE) 2008-08-07 US disclosed
EP-0399645-B1 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1994-11-09 EP disclosed
EP-0399645-A2 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP 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-20080188671-A1 Simple, inexpensive synthesis of high yield and purity Suzuki coupling compounds; inhibiting rearrangement CBR3, CBR1, BLVRB LMNA 3625/4885

“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.