Butane

Butane

SCHEMBL1155320

CC(C)(C)[Si](C)(C)OOC(=O)CCCC(=O)O.CCCC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL31053791 0.95 TSHR (0.47) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL31386976 0.83 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL27387114 0.79 TSHR (0.56) TSHRAKR1B1GPR84PPARGPPARD
SCHEMBL31537920 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL31039401 0.74 PTPN7 (0.51) PPARGPPARAALDH1A1TDP1KMT2A
SCHEMBL1848455 0.73 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL1595383 0.73 TSHR (0.44) TSHRGPR84PPARGPPARDPPARA
SCHEMBL8624294 0.72 TSHR (0.31) TSHR
SCHEMBL4921825 0.71 HPGD (0.34)
Butane SCHEMBL4186449 0.70 TSHR (0.60) TSHRAKR1B1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178890-A1 PURIFICATION OF ROSUVASTATIN INTERMEDIATE BY THIN FILM EVAPORATION AND CHEMICAL METHOD Teva Pharmaceutical Industries Ltd. (IL) 2010-04-28 EP claimed
JP-2010501643-A 2010-01-21 JP claimed
WO-2009009153-A9 PURIFICATION OF ROSUVASTATIN INTERMEDIATE BY THIN FILM EVAPORATION AND CHEMICAL METHOD TEVA PHARMA (IL) 2009-06-18 WO claimed
WO-2009009153-A1 PURIFICATION OF ROSUVASTATIN INTERMEDIATE BY THIN FILM EVAPORATION AND CHEMICAL METHOD TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 WO claimed
US-7884226-B2 combining a formulation containing t-butyl (3R)-3-(t-butyldimethylsilyloxy)-6-dimethoxyphosphinyl-5-oxohexanoate (19TBPO) with basic and/or oxidizing agents ( NaOH, Potassium permanganate), extracting the 19TBPO into a water immiscible organic solvent TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2011-02-08 US disclosed
EP-2178890-A1 PURIFICATION OF ROSUVASTATIN INTERMEDIATE BY THIN FILM EVAPORATION AND CHEMICAL METHOD Teva Pharmaceutical Industries Ltd. (IL) 2010-04-28 EP disclosed
WO-2009009153-A9 PURIFICATION OF ROSUVASTATIN INTERMEDIATE BY THIN FILM EVAPORATION AND CHEMICAL METHOD TEVA PHARMA (IL) 2009-06-18 WO disclosed
US-20090099383-A1 Purification of rosuvatatin intermediate by thin film evaporation and chemical method TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-04-16 US disclosed
WO-2009009153-A1 PURIFICATION OF ROSUVASTATIN INTERMEDIATE BY THIN FILM EVAPORATION AND CHEMICAL METHOD TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 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-20090099383-A1 Purification of rosuvatatin intermediate by thin film evaporation and chemical method HMGCR, HDLBP, CETP TSHR 4132/4885AKR1B1 2286/4885GPR84 4562/4885

“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.