Butane

Butane

SCHEMBL4076419

CCCC.CP(=O)(O)OO

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
FDPS P14324 4/20 0.38
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 3/20 0.37
LPAR1 Q92633 2/20 0.37
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SAT1 P21673 1/20 0.34
SMPD1 P17405 1/20 0.33

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
SCHEMBL924604 0.87
Methyl Phosphonate SCHEMBL16143409 0.79
Phosphoric Acid SCHEMBL10935355 0.75 FDPS (0.47) CA2FDPSLPAR3LPAR2LPAR1
Phosphoric Acid SCHEMBL337762 0.75
Phosphoric Acid SCHEMBL17748944 0.75 FDPS (0.47) CA2FDPSLPAR3LPAR2LPAR1
Phosphoric Acid SCHEMBL15540528 0.75 FDPS (0.47) CA2FDPSLPAR3LPAR2LPAR1
Phosphoric Acid SCHEMBL6827845 0.75 FDPS (0.47) CA2FDPSLPAR3LPAR2LPAR1
Phosphoric Acid SCHEMBL9588189 0.75 FDPS (0.47) CA2FDPSLPAR3LPAR2LPAR1
Phosphoric Acid SCHEMBL21081718 0.75 FDPS (0.47) CA2FDPSLPAR3LPAR2LPAR1
Phosphoric Acid SCHEMBL8863040 0.72 FDPS (0.45) CA2FDPSLPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US disclosed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 US disclosed
US-20050128562-A1 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US disclosed
US-20050128561-A1 Electrochromic compound UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND 2005-06-16 US disclosed
US-6870657-B1 Electrochromic device UNIVERSITY COLLEGE DUBLIN (IE) 2005-03-22 US disclosed
EP-1500969-A1 Compound and its use in electrochromic devices UNIVERSITY COLLEGE DUBLIN (IE) 2005-01-26 EP disclosed
EP-1224505-B1 ELECTROCHROMIC DEVICE UNIV DUBLIN (IE) 2005-01-12 EP disclosed
EP-1224505-A1 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2002-07-24 EP disclosed
WO-2001027690-A2 ELECTROCHROMIC DEVICE UNIVERSITY COLLEGE DUBLIN (IE) 2001-04-19 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-20080167465-A1 Electrochromic compound KCNH2, PRDM9, H1-10 CA2 2638/4885FDPS 1990/4885LPAR3 3496/4885

“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.