Butane

Butane

SCHEMBL3669004

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP19A1 P11511 2/20 0.33
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
OXER1 Q8TDS5 2/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL18203203 0.95 ALDH1A1 (0.35) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL18203204 0.95 ALDH1A1 (0.35) CYP2D6CYP2C19GMNNUSP2CYP1A2
Butane SCHEMBL2917528 0.79 TSHR (0.33) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL9718363 0.76 ALDH1A1 (0.35) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL9718359 0.76 ALDH1A1 (0.35) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL18187549 0.74 ALDH1A1 (0.39) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL10702570 0.73 ALDH1A1 (0.37) CYP3A4RECQLBLMHSD17B10ALDH1A1
SCHEMBL11124088 0.71 ALDH1A1 (0.32) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL11124099 0.71 ALDH1A1 (0.32) CYP2D6CYP2C19GMNNUSP2CYP1A2
SCHEMBL11749518 0.70 ALDH1A1 (0.34) CYP3A4RECQLBLMHSD17B10ALDH1A1

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-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 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-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS CYP2D6 529/4885CYP2C19 2054/4885GMNN 1500/4885

“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.