Butane

Butane

SCHEMBL3035488

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

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.54
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 7/20 0.52
PPARD Q03181 7/20 0.52
PPARA Q07869 7/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
PTPN1 P18031 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
ALOX15 P16050 1/20 0.52
PDE4A P27815 1/20 0.52

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
Valeric Acid SCHEMBL31318629 0.93 AKR1B1 (0.58) AKR1B1GPR84PPARGPPARDPPARA
Propane SCHEMBL1389494 0.93 AKR1B1 (0.50) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL29660871 0.93 LMNA (0.53) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL125280 0.93
Alcohol SCHEMBL28528170 0.91 AKR1B1 (0.48) AKR1B1GPR84PPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL28632868 0.90 KDM4C (0.50) AKR1B1GPR84TSHRALDH1A1SLC22A6
Hydrochloric Acid SCHEMBL5242594 0.90 KDM4C (0.50) AKR1B1GPR84TSHRALDH1A1SLC22A6
SCHEMBL29231952 0.90 KDM4C (0.50) AKR1B1GPR84TSHRALDH1A1SLC22A6
SCHEMBL28429454 0.90 KDM4C (0.50) AKR1B1GPR84TSHRALDH1A1SLC22A6
SCHEMBL27935813 0.90 KDM4C (0.50) AKR1B1GPR84TSHRALDH1A1SLC22A6

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
US-20100215603-A1 Body Surface Protecting Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-08-26 US disclosed
EP-1891924-A1 COMPOSITION FOR PROTECTION OF BODY SURFACE Asahi Kasei Chemicals Corporation (JP) 2008-02-27 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-20100215603-A1 Body Surface Protecting Composition FABP2, CUTA, FABP1 AKR1B1 1690/4885GPR84 456/4885PPARG 152/4885

“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.