Butane

Butane

SCHEMBL6464349

CCCC.O=C(O)CC(O)CC(=O)O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.77
GPR84 Q9NQS5 4/20 0.60
GABRR1 P24046 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.46
FFAR3 O14843 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL112368 0.87 SLC22A6 (1.00) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL30496763 0.87 SLC22A6 (1.00) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL29060947 0.84 SLC22A6 (0.93) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL10423093 0.84 SLC22A6 (0.93) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL6733935 0.84 SLC22A6 (0.93) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL28596753 0.84 SLC22A6 (0.93) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL20843 0.83
SCHEMBL29539859 0.83 GPR84 (0.68) SLC22A6GPR84GABRR1LMNAMAPT
SCHEMBL604612 0.83
SCHEMBL54112 0.83

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 SLC22A6 4181/4885GPR84 4571/4885GABRR1 3302/4885

“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.