SCHEMBL359791

SCHEMBL359791

COC(=O)/C(OC(C)=O)=C(\OC(C)=O)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL359792 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1MGAM
SCHEMBL10099910 0.89 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1MGAM
SCHEMBL11419298 0.89 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1MGAM
SCHEMBL7757467 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1MGAM
SCHEMBL16543117 0.74 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10MGAMGAA
Acetic Acid Methyl Ester SCHEMBL5562769 0.74 ALDH1A1 (0.77) ALDH1A1TSHRHSD17B10TDP1MGAM
SCHEMBL14898559 0.73 ALDH1A1 (0.48) ALDH1A1TSHRMGAMGAASI
SCHEMBL3177567 0.70 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6950834 0.69 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10MGAMGAA
Acetic Acid Methyl Ester SCHEMBL3080739 0.69

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 EP disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
CN-101880280-B Bicyclic pyrimidinones and uses thereof SHANGHAI INST ORGANIC CHEM 2014-07-16 CN disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
CN-101627019-A Bicyclic pyrimidinones and uses thereof AVEXA LTD 2010-01-13 CN disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 WO disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 WO disclosed
WO-2010000030-A1 THIAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 WO disclosed
EP-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 EP disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed
EP-1937678-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-02 EP disclosed
WO-2007039218-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2007-04-12 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 (2 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 ALDH1A1 1686/4885TSHR 4464/4885HSD17B10 2118/4885
US-20090221571-A1 HIV INTEGRASE INHIBITORS TYMP, CDK2, TYMS ALDH1A1 1847/4885TSHR 3631/4885HSD17B10 2886/4885

“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.