Ether

Ether

SCHEMBL826068

CCOC(=O)CC(Cl)Cl.CCOCC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 9/20 0.43
TRPA1 O75762 1/20 0.43
ALOX15 P16050 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.34

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
SCHEMBL8677 0.93
Ammonia Solution, Strong SCHEMBL3775021 0.91 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Methyl Alcohol SCHEMBL275175 0.91 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
Acetone SCHEMBL7006638 0.89 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Alcohol SCHEMBL4242917 0.89 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Methylene Chloride SCHEMBL3731960 0.89 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL5092211 0.87 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL8741598 0.85 ALDH1A1 (0.58) GAAMGAMSIMGAM2ALDH1A1
Hexane SCHEMBL1234791 0.85 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL2089133 0.85 ALDH1A1 (0.58) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
EP-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 EP disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD GAA 564/4885MGAM 3596/4885SI 595/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD GAA 564/4885MGAM 3596/4885SI 595/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD GAA 564/4885MGAM 3596/4885SI 595/4885

“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.