Butane

Butane

SCHEMBL5301919

CCCC.CCc1cccc(CO[PH](=O)O)c1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.37
SOD1 P00441 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 3/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KAT6A Q92794 1/20 0.34
PTPRC P08575 1/20 0.33

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 SCHEMBL5300026 0.84 IDO1 (0.49)
Butane SCHEMBL5292210 0.83 IDO1 (0.53) MRGPRX4
Butane SCHEMBL1238313 0.82 ALDH1A1 (0.46) TSHRMAPK1TDP1L3MBTL1TP53
SCHEMBL9849212 0.79 CYP4F2 (0.36) TSHRF2MRGPRX4PTPRCPTPN1
SCHEMBL9849186 0.78 TAAR1 (0.55) SMN1; SMN2
SCHEMBL8507775 0.77 IDO1 (0.57) MRGPRX4
SCHEMBL3993950 0.76 LOXL2 (0.60) SMN1; SMN2TSHRMAPTMRGPRX4
SCHEMBL27370550 0.76 IDO1 (0.55) MRGPRX4
SCHEMBL29149475 0.76 IDO1 (0.55)
SCHEMBL27850575 0.76 CYP19A1 (0.47) TDP1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005172-A1 METHOD FOR THE PREPARATION OF ARALKYL DIALKYL PHOSPHONATES FERRO CORPORATION (US) 2007-01-11 WO disclosed
US-20070004833-A1 METHOD FOR THE PREPARATION OF ARALKYL DIALKYL PHOSPHONATES FERRO CORPORATION (US) 2007-01-04 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 (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-20070004833-A1 METHOD FOR THE PREPARATION OF ARALKYL DIALKYL PHOSPHONATES ADK, ARAF, RPN1 BCL2 4236/4885SOD1 4094/4885MGLL 39/4885

“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.