Butane

Butane

SCHEMBL81923

CC(C)(C)OC(=O)NC(CCOC1CCCCO1)(C(=O)O)C(=O)O.CCCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CREBBP Q92793 1/20 0.34
CTSK P43235 4/20 0.33
CTSS P25774 3/20 0.33
EPHX1 P07099 1/20 0.33
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BTK Q06187 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL86959 0.86 PKM (0.38) KMT2AMEN1CREBBPEPHX1HCRTR2
SCHEMBL2465563 0.85 KMT2A (0.34) KMT2AMEN1CREBBPCTSKCTSS
SCHEMBL13851954 0.81 MEN1 (0.39) KMT2AMEN1CREBBPCTSKCTSS
SCHEMBL81466 0.80 MEN1 (0.39) KMT2AMEN1CREBBPCTSKCTSS
SCHEMBL13851956 0.76 MEN1 (0.35) KMT2AMEN1CTSKCTSSEPHX1
SCHEMBL3959022 0.75 EPHX1 (0.51) KMT2AMEN1CTSKCTSSEPHX1
SCHEMBL79361 0.74 MEN1 (0.33) KMT2AMEN1EPHX1HCRTR2
SCHEMBL16140756 0.73 MEN1 (0.34) KMT2AMEN1EPHX1HCRTR2
SCHEMBL11371553 0.73 MEN1 (0.43) KMT2AMEN1CREBBPADORA3
SCHEMBL28872360 0.72 TDP1 (0.52) KMT2AMEN1EPHX1HCRTR2GAA

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
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C KMT2A 525/4885MEN1 1026/4885CREBBP 1673/4885

“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.