SCHEMBL50781

SCHEMBL50781

CCc1ccc(C(c2ccccc2)c2ccc(CC)cc2O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
TYR P14679 1/20 0.45
HKDC1 Q2TB90 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL51302 0.86 TRPA1 (0.50) TRPA1TYRHKDC1CYP1A2CYP2A6
SCHEMBL1344545 0.81 TRPA1 (0.44) TRPA1TYRHKDC1CYP1A2CYP2A6
SCHEMBL1345096 0.81 TRPA1 (0.44) TRPA1TYRHKDC1CYP1A2CYP2A6
SCHEMBL1344636 0.81 TRPA1 (0.44) TRPA1TYRHKDC1CYP1A2CYP2A6
SCHEMBL1344862 0.81 TRPA1 (0.44) TRPA1TYRHKDC1CYP1A2CYP2A6
SCHEMBL19806852 0.79 TYR (0.45) TRPA1TYRALDH1A1MAPTMAPK1
SCHEMBL50970 0.77 TRPA1 (0.57) TRPA1TYRALDH1A1MAPTLMNA
SCHEMBL6705646 0.76 HTR2A (0.56) ALDH1A1LMNATP53ALOX15KDM4E
SCHEMBL6054819 0.76 TRPA1 (0.50) TRPA1TYRHKDC1CYP1A2CYP2A6
SCHEMBL4610099 0.76 TRPA1 (0.59) TRPA1CYP1A2CYP2A6ALDH1A1MAPT

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