SCHEMBL4128970

SCHEMBL4128970

CCOC(=O)Cc1cccc(OCOC)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.52
FFAR1 O14842 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
F10 P00742 1/20 0.46
MAOB P27338 2/20 0.45
POLB P06746 1/20 0.44
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CTBP2 P56545 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13791052 0.93 FFAR1 (0.47) PPARAPPARGFFAR1L3MBTL1MAPK1
SCHEMBL3905480 0.89 PPARA (0.48) PPARAPPARGFFAR1L3MBTL1MAPK1
SCHEMBL31285834 0.88 PPARA (0.57) PPARAPPARGL3MBTL1MAPK1TSHR
SCHEMBL2008583 0.88 PPARA (0.57) PPARAPPARGL3MBTL1MAPK1TSHR
SCHEMBL13178572 0.87 SLC7A5 (0.50) FFAR1TSHRPOLBLTB4RLTB4R2
SCHEMBL10729323 0.86 PPARA (0.56) PPARAPPARGFFAR1L3MBTL1MAPK1
SCHEMBL29640755 0.85 POLB (0.56) PPARAPPARGL3MBTL1MAPK1F10
SCHEMBL511950 0.85 POLB (0.56) PPARAPPARGL3MBTL1MAPK1F10
SCHEMBL13790821 0.84 CYP1A2 (0.54) PPARAPPARGFFAR1L3MBTL1MAPK1
SCHEMBL3902689 0.84 PPARA (0.60) PPARAPPARGFFAR1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
CN-101679370-A Novel vanilloid receptor ligands and the use thereof for the production of pharmaceuticals GRUENENTHAL GMBH 2010-03-24 CN disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
WO-2008125342-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 PPARA 482/4885PPARG 364/4885FFAR1 141/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 PPARA 506/4885PPARG 394/4885FFAR1 134/4885

“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.