SCHEMBL2008583

SCHEMBL2008583

CCOC(=O)Cc1cccc(OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.57
PPARG P37231 1/20 0.57
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
F10 P00742 1/20 0.49
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
MAOB P27338 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
TP53 P04637 2/20 0.46

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
SCHEMBL31285834 1.00 PPARA (0.57) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL5461145 0.88 PPARA (0.59) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL1008116 0.88 LTB4R (0.61) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL4128970 0.88 PPARA (0.52) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL511950 0.87 POLB (0.56) PPARAPPARGMAPK1L3MBTL1ALDH1A1
SCHEMBL29640755 0.87 POLB (0.56) PPARAPPARGMAPK1L3MBTL1ALDH1A1
SCHEMBL2767480 0.87 SMN1; SMN2 (0.53) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL7397992 0.87 L3MBTL1 (0.53) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL10956793 0.87 PPARA (0.51) PPARAPPARGMAPK1L3MBTL1TSHR
SCHEMBL8147646 0.87 L3MBTL1 (0.53) PPARAPPARGMAPK1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
CN-103880679-B Synthesis method of 3- ethyoxyl-4-ethoxycarbonyl phenylacetic acid UNIV HEBEI SCIENCE & TECH 2015-02-11 CN disclosed
CN-103880679-A Synthesis method of 3- ethyoxyl-4-ethoxycarbonyl phenylacetic acid UNIV HEBEI SCIENCE & TECH 2014-06-25 CN disclosed
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-8217027-B2 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
EP-2120575-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS Abbott Laboratories (US) 2009-11-25 EP disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
US-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds ABBVIE INC. 2009-01-29 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
WO-2008079382-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
WO-2008079382-A1 SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 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-20090029947-A1 Sphingosine-1-phosphate receptor agonist and antagonist compounds S1PR1, S1PR3, S1PR5 PPARA 846/4885PPARG 1597/4885MAPK1 2010/4885
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 PPARA 2396/4885PPARG 2469/4885MAPK1 1669/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 PPARA 2396/4885PPARG 2469/4885MAPK1 1669/4885

“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.