SCHEMBL5012985

SCHEMBL5012985

COc1cc(CC(=O)O)cc(I)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.60
THRB P10828 3/20 0.60
PPARG P37231 3/20 0.60
RXRA P19793 2/20 0.60
ITGB3 P05106 1/20 0.60
ITGAV P06756 1/20 0.60
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRPV1 Q8NER1 2/20 0.51
APP P05067 1/20 0.48
ALOX5 P09917 2/20 0.47
CA5A P35218 2/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 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
SCHEMBL26617184 0.88 TRPV1 (0.52) THRATHRBPPARGRXRAITGB3
SCHEMBL1278855 0.88 GAA (0.66) THRATHRBPPARGRXRAITGB3
SCHEMBL8773706 0.86 THRB (0.71) THRATHRBPPARGRXRAITGB3
SCHEMBL8072165 0.84 GAA (0.67) THRATHRBPPARGRXRAITGB3
SCHEMBL31103566 0.84 GAA (0.67) THRATHRBPPARGRXRAITGB3
SCHEMBL6143465 0.84 ALOX5 (0.56) THRATHRBPPARGRXRAITGB3
SCHEMBL5490546 0.83 GAA (0.60) THRATHRBPPARGRXRAITGB3
SCHEMBL13586551 0.81 GAA (0.58) THRATHRBPPARGRXRAITGB3
SCHEMBL1525495 0.80 GAA (0.57) THRATHRBPPARGGAAALDH1A1
SCHEMBL11156508 0.80 GAA (0.57) THRATHRBPPARGRXRAITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150104439-A1 PHARMACEUTICAL REMOVAL OF NEURONAL EXTENSIONS FROM A DEGENERATING DISC WARSAW ORTHOPEDIC INC (US) 2015-04-16 US claimed
US-20070298407-A1 Diagnostic kits and methods for diagnosis of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-27 US claimed
US-20070287991-A1 Devices and methods for detection of markers of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-13 US claimed
US-9730986-B2 Pharmaceutical removal of neuronal extensions from a degenerating disc WARSAW ORTHOPEDIC, INC. (US) 2017-08-15 US disclosed
US-9597352-B2 Compositions and methods for treating pain WARSAW ORTHOPEDIC, INC. (US) 2017-03-21 US disclosed
US-20150104439-A1 PHARMACEUTICAL REMOVAL OF NEURONAL EXTENSIONS FROM A DEGENERATING DISC WARSAW ORTHOPEDIC INC (US) 2015-04-16 US disclosed
US-8916611-B2 Pharmaceutical removal of neuronal extensions from a degenerating disc WARSAW ORTHOPEDIC, INC. (US) 2014-12-23 US disclosed
US-8545831-B2 Compositions and methods for treating a damaged cardiovascular element WARSAW ORTHOPEDIC, INC. (US) 2013-10-01 US disclosed
US-8333697-B2 Diagnostic kits and methods for diagnosis of axial pain with or without radiculopathy WARSAW ORTHOPEDIC, INC. (US) 2012-12-18 US disclosed
EP-1890712-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN Warsaw Orthopedic, Inc. (US) 2008-02-27 EP disclosed
US-20070298407-A1 Diagnostic kits and methods for diagnosis of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-27 US disclosed
US-20070293428-A1 Methods of treating joint pain in a subject by using an anti-angiogenic agent ZANELLA JOHN M 2007-12-20 US disclosed
US-20070287991-A1 Devices and methods for detection of markers of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-13 US disclosed
US-20070012323-A1 Compositions and methods for treating a damaged cardiovascular element WARSAW ORTHOPEDIC, INC. 2007-01-18 US disclosed
US-20060280718-A1 Compositions and methods for treating pain WARSAW ORTHOPEDIC, INC. 2006-12-14 US disclosed
WO-2006130600-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN WARSAW ORTHOPEDIC, INC. (US) 2006-12-07 WO disclosed
WO-2006130599-A2 COMPOSITIONS AND METHODS FOR TREATING A DAMAGED CARDIOVASCULAR ELEMENT WARSAW ORTHOPEDIC, INC. (US) 2006-12-07 WO disclosed