SCHEMBL51849

SCHEMBL51849

CC(C)c1ccc(C(C)c2ccc(C(C)C)cc2O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.59
PTGS1 P23219 1/20 0.59
CACNA1C Q13936 1/20 0.59
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
HIF1A Q16665 2/20 0.52
GAA P10253 1/20 0.52
TYR P14679 4/20 0.52
RNASEH1 O60930 1/20 0.48
LMNA P02545 4/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44

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
SCHEMBL771497 0.88 LMNA (0.61) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL9861631 0.84 TRPA1 (0.57) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL20368541 0.83 TRPA1 (0.55) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL50884 0.82 ALOX12 (0.57) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL16736849 0.79 TSHR (0.57) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL172232 0.78 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL29362968 0.78 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL339292 0.78 TRPA1 (0.67) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL51857 0.78 TYR (0.51) TRPA1PTGS1CACNA1CALDH1A1ALOX12
SCHEMBL16736779 0.77 TRPA1 (0.48) TRPA1PTGS1CACNA1CALDH1A1ALOX12

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
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
EP-0240212-B1 PREPARATION OF HIGHLY PURE ALPHA-METHYLSTYRENE POLYMER THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
US-4748222-A Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1988-05-31 US disclosed
EP-0058217-B1 A PROCESS FOR PRODUCING A RANDOM COPOLYMER AND RANDOM COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1987-05-06 EP disclosed
EP-0058217-A1 A process for producing a random copolymer and random copolymer PHILLIPS PETROLEUM COMPANY (US) 1982-08-25 EP disclosed
US-4277591-A ORGANOLITHIUM INITIATOR AND AN ORGANIC COMPOUND OF SODIUM, POTASSIUM, RUBIDIUM, OR CESIUM PHILLIPS PETROLEUM COMPANY (US) 1981-07-07 US disclosed