SCHEMBL4453048

SCHEMBL4453048

C=CCCC=Cc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
NFKB1 P19838 2/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
JUN P05412 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CA2 P00918 6/20 0.44
CA1 P00915 1/20 0.44
CA4 P22748 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
CA12 O43570 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 1/20 0.41
GUSB P08236 1/20 0.41
CA9 Q16790 4/20 0.39
CHRNA7 P36544 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
SCHEMBL9164572 0.81 CDK4 (0.55) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL3415698 0.78 CA2 (0.50) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL30337793 0.78 CA2 (0.50) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL3415700 0.78 CA2 (0.50) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL347703 0.78 TRPA1 (0.48) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL9112823 0.78 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL9112828 0.78 TRPA1 (0.52) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL20237222 0.76 CDK4 (0.46) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL3417189 0.76 MAPT (0.46) TRPA1NFKB1CDK4CCND1JUN
SCHEMBL348173 0.76 TRPA1 (0.46) TRPA1NFKB1CDK4CCND1JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912538-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-05-06 EP claimed
WO-1997047615-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-12-18 WO claimed
JP-9221517-A None JP disclosed
US-8354188-B2 Polymer for lithium ion secondary battery and lithium ion secondary battery using same SANYO ELECTRIC CO., LTD. (JP) 2013-01-15 US disclosed
US-20090246635-A1 Polymer for Lithium Ion Secondary Battery and Lithium Ion Secondary Battery Using Same SUNSTAR GIKEN KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-0912538-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-05-06 EP disclosed
WO-1997047615-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-12-18 WO disclosed
JP-H09221517-A DISPERSANT DAI ICHI KOGYO SEIYAKU CO LTD 1997-08-26 JP disclosed
US-5563195-A BLEND OF A MODIFIED POLYOLEFIN AND BLOCKED ISOCYANATE NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-10-08 US disclosed
US-5559176-A WATER RESISTANCE NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-09-24 US disclosed
US-5534577-A ALKYLENE OXIDE TYPE SURFACTANT, REACTIVE ISOCYANATE, PAINTS, INKS, COATINGS, SEALANTS, ADHESIVES NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-07-09 US disclosed