SCHEMBL50738

SCHEMBL50738

COc1ccc(C(c2ccccc2)c2ccc(OC)cc2O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.54
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
PGR P06401 3/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
SLC6A2 P23975 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
HRH1 P35367 1/20 0.47
HTT P42858 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDE4D Q08499 1/20 0.47
AR P10275 3/20 0.45
CYP3A4 P08684 2/20 0.45
ADORA3 P0DMS8 1/20 0.45

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
SCHEMBL5584056 0.93 TYR (0.55) TYRBCHEACHEPGRLMNA
SCHEMBL1758750 0.91 TYR (0.58) TYRBCHEACHEHPGDCYP1A2
SCHEMBL51818 0.86 MAPT (0.51) TYRBCHEACHEPGRLMNA
SCHEMBL3823999 0.85 TYR (0.52) TYRBCHEACHEPGRLMNA
SCHEMBL15412975 0.83 TYR (0.71) TYRBCHEACHEPGRLMNA
SCHEMBL28475878 0.83 MAPT (0.51) TYRBCHEACHEPGRLMNA
SCHEMBL4656144 0.83 BCHE (0.54) TYRBCHEACHECYP1A2CYP2C19
SCHEMBL11558507 0.81 HPGD (0.50) TYRBCHEACHEPGRLMNA
SCHEMBL12799438 0.80 TYR (0.48) TYRBCHEACHEPGRLMNA
SCHEMBL5207565 0.80 TYR (0.48) TYRBCHEACHEPGRLMNA

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
EP-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20110269622-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2011-11-03 US disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2261045-A1 HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed
EP-1437231-B1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API CORP (JP) 2008-01-09 EP disclosed
US-20040241598-A1 Developer for thermal recording material and thermal recording materials NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2004-12-02 US disclosed
EP-1437231-A1 DEVELOPER FOR THERMAL RECORDING MATERIAL AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-07-14 EP disclosed