SCHEMBL50921

SCHEMBL50921

CCCC(c1cc(C(C)(C)C)ccc1O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 3/20 0.51
ALOX15 P16050 2/20 0.51
CYP2C9 P11712 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 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
SCHEMBL4595965 0.87 RORC (0.49) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL4595239 0.86 CYP2D6 (0.51) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL4595074 0.84 RORC (0.58) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL5596201 0.81 ALDH1A1 (0.52) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL11329698 0.81 CYP2C19 (0.53) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL8387370 0.80 CYP2C9 (0.44) CYP2D6CYP2C19ALOX15CYP2C9TP53
SCHEMBL5015411 0.79 CYP2C19 (0.54) CYP2D6CYP2C19ALOX15CYP2C9TP53
SCHEMBL2034981 0.79 RORC (0.80) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL24520451 0.78 ALOX15 (0.79) RORCCYP2D6CYP2C19ALOX15CYP2C9
SCHEMBL4596473 0.78 ALOX15 (0.49) RORCCYP2D6CYP2C19ALOX15CYP2C9

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 15 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-8202821-B2 Thermal recording material NIPPON PAPER INDUSTRIES CO., LTD (JP) 2012-06-19 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
US-20090280980-A1 Thermal recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2009-11-12 US disclosed
EP-2072274-A1 HEAT-SENSITIVE RECORDING MATERIAL Nippon Paper Industries CO., LTD. (JP) 2009-06-24 EP 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