Butane

Butane

SCHEMBL5154606

CCCC.CCOC(C)OCC.O=CCP(=O)(O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
FDPS P14324 5/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP1 P53582 1/20 0.32
ANPEP P15144 1/20 0.31

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 SCHEMBL4602907 0.82 FDPS (0.40) FDPSMETAP1ANPEP
Butane SCHEMBL1088110 0.78 LMNA (0.55) LMNA
Propionaldehyde SCHEMBL56362 0.78 LMNA (0.60) LMNA
Propionaldehyde SCHEMBL8906570 0.78 LMNA (0.60) LMNA
Phosphoric Acid SCHEMBL368038 0.77 LMNA (0.67) LMNAFDPSMEN1CYP1A2KMT2A
Butane SCHEMBL818136 0.75 LMNA (0.63) LMNA
Butane SCHEMBL2557609 0.75 LMNA (0.63) LMNA
Butane SCHEMBL11232709 0.74 LMNA (0.55) LMNA
SCHEMBL629168 0.73 LMNA (0.60) LMNA
Butane SCHEMBL8312214 0.73 LMNA (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262476-B1 PROCESSES FOR PREPARING QUINOLINE DERIVATIVES AND INTERMEDIATES THEREOF NISSAN CHEMICAL IND LTD (JP) 2007-01-10 EP disclosed
US-6855824-B2 Processes for preparing quinoline derivatives and intermediates thereof KURARAY CO., LTD. (JP) 2005-02-15 US disclosed
US-20030125355-A1 Processes for preparing quinoline derivatives and intermedias thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-03 US disclosed
EP-1262476-A1 PROCESSES FOR PREPARING QUINOLINE DERIVATIVES AND INTERMEDIATES THEREOF KURARAY CO., LTD. (JP) 2002-12-04 EP disclosed
US-5096919-A Pyrrolylphenyl-substituted hydroxamic acid derivatives CIBA-GEIGY CORPORATION (US) 1992-03-17 US disclosed
US-4960787-A LIPOXYGENASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0378991-A1 Certain pyrrolylphenyl-substituted hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-25 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-20030125355-A1 Processes for preparing quinoline derivatives and intermedias thereof NQO1, ADH1B, IDH3B LMNA 620/4885FDPS 146/4885MEN1 421/4885

“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.