Butane

Butane

SCHEMBL1858566

CCCC.O=C(c1ccccc1)N1CCCCCC1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.82
ALDH1A1 P00352 5/20 0.72
USP2 O75604 1/20 0.72
BLM P54132 1/20 0.65
MAPK1 P28482 1/20 0.64
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ACHE P22303 1/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.57
SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL436090 0.91 HPGD (1.00) HPGDALDH1A1USP2MAPK1LMNA
SCHEMBL8919062 0.91 HPGD (1.00) HPGDALDH1A1USP2MAPK1LMNA
SCHEMBL27929296 0.91 HPGD (1.00) HPGDALDH1A1USP2MAPK1LMNA
SCHEMBL1927946 0.91 HPGD (1.00) HPGDALDH1A1USP2MAPK1LMNA
SCHEMBL243236 0.91 HPGD (1.00) HPGDALDH1A1USP2MAPK1LMNA
Bicarbonate SCHEMBL1582960 0.89 HPGD (0.96) HPGDALDH1A1USP2MAPK1LMNA
Hydrochloric Acid SCHEMBL9209631 0.89 HPGD (0.96) HPGDALDH1A1USP2MAPK1LMNA
SCHEMBL254870 0.89 HPGD (0.96) HPGDALDH1A1USP2BLMMAPK1
SCHEMBL18228404 0.89 HPGD (0.96) HPGDALDH1A1USP2BLMMAPK1
SCHEMBL1263133 0.85 HPGD (0.88) HPGDALDH1A1USP2BLMMAPK1

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-2011054628-A1 ENHANCED PHOTO PROTECTION UNILEVER PLC (GB) 2011-05-12 WO disclosed
US-20110104082-A1 ENHANCED PHOTO PROTECTION CONOPCO, INC., D/B/A UNILEVER (US) 2011-05-05 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-20110104082-A1 ENHANCED PHOTO PROTECTION ERCC1, PCNA, CUTA HPGD 322/4885ALDH1A1 902/4885USP2 1225/4885

“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.