Butane

Butane

SCHEMBL2917528

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL16449145 0.90 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL7761713 0.90 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL7759825 0.90 TSHR (0.40) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Butane SCHEMBL3669004 0.79 CYP2D6 (0.34) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL18203203 0.73 ALDH1A1 (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL18203204 0.73 ALDH1A1 (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL15443397 0.73 ALDH1A1 (0.31) TSHRALDH1A1KDM4CCYP2D6CYP2C19
Butane SCHEMBL2916787 0.71 TSHR (0.33) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL10460963 0.71 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL11797613 0.71 TSHR (0.33) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225382-B1 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2016-11-09 EP disclosed
US-20150147800-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2015-05-28 US disclosed
US-8951750-B2 Malonate decarboxylases for industrial applications BASF SE (DE) 2015-02-10 US disclosed
EP-2565274-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
EP-2565273-A1 New malonate decarboxylases for industrial applications BASF SE (DE) 2013-03-06 EP disclosed
US-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-12-09 US disclosed
EP-2225382-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2010-09-08 EP disclosed
WO-2009068308-A2 NEW MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS BASF SE (DE) 2009-06-04 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-20100311037-A1 MALONATE DECARBOXYLASES FOR INDUSTRIAL APPLICATIONS ME1, AMD1, GMDS TSHR 3368/4885ALDH1A1 139/4885KDM4C 1783/4885

“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.