Butane

Butane

SCHEMBL6466855

CC(=O)OCOC(CC(=O)O)CC(=O)O.CCCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 3/20 0.35
MAPK1 P28482 4/20 0.34
GMNN O75496 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
GLA P06280 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
SCHEMBL14963619 0.77 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL6466859 0.77 ALDH1A1 (0.48) LMNAALDH1A1HSD17B10ALOX15CYP1A2
SCHEMBL16791320 0.75 LMNA (0.37) LMNASMN1; SMN2ALOX15TSHRMMP12
SCHEMBL9863149 0.75 PAM (0.59) LMNAALDH1A1CYP1A2MAPK1GMNN
SCHEMBL28058899 0.73 LMNA (0.43) LMNASMN1; SMN2ALDH1A1HSD17B10ALOX15
SCHEMBL9234611 0.73 SMN1; SMN2 (0.38) LMNASMN1; SMN2ALDH1A1ALOX15CYP1A2
SCHEMBL2466001 0.73 TDP1 (0.42) LMNASMN1; SMN2ALDH1A1HSD17B10MAPK1
SCHEMBL9019752 0.72 ALDH1A1 (0.45) LMNAALDH1A1HSD17B10TSHR
SCHEMBL27872257 0.71 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL9019745 0.71 ALDH1A1 (0.47) LMNAALDH1A1HSD17B10MEN1KMT2A

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-20050014954-A1 Pyrrole synthesis CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 US disclosed
EP-1451179-A1 PYRROLE SYNTHESIS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 WO 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-20050014954-A1 Pyrrole synthesis PNPO, PPOX, DHPS LMNA 4840/4885SMN1; SMN2 3800/4885ALDH1A1 511/4885

“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.