SCHEMBL981813

SCHEMBL981813

CCCCc1[c]ccc(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
MAPT P10636 1/20 0.36
SKP2 Q13309 1/20 0.35
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS2 P35228 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TYR P14679 1/20 0.32
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL4591889 0.94 PTGS2 (0.34) HTTMAPTTP53TYR
SCHEMBL8574350 0.92 PTGS2 (0.36) HTTMAPTTP53TYR
SCHEMBL7646225 0.92 PTGS2 (0.36) HTTMAPTTP53TYR
SCHEMBL1778766 0.92 PTGS2 (0.36) HTTMAPTTP53TYR
SCHEMBL8709834 0.92 PTGS2 (0.36) HTTMAPTTP53TYR
SCHEMBL8469997 0.92 PTGS2 (0.36) HTTMAPTTP53TYR
SCHEMBL1777552 0.88 TSHR (0.31) NOS2
SCHEMBL11417292 0.85 ACHE (0.33) MAPT
SCHEMBL677715 0.80 SKP2 (0.43) HTTSKP2NPC1MAPK1RAB9A
SCHEMBL5597590 0.79 HRH1 (0.35)

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560646-A SUBSTITUTED HYDROQUINONES CIBA GEIGY AG (CH) 1985-12-24 US claimed
CN-109054378-B Enhancing antimicrobial activity of biocides with polymers 巴斯夫欧洲公司 2021-10-01 CN disclosed
US-8188202-B2 Making polymers based on monomer 9,9-Diallylfluorene; diallyl groups form cyclohexane ring upon polymerization; superior heat resistance; use of diimine-based nickel complex catalyst, organoaluminum, and boron compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-29 US disclosed
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
US-7956145-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-7943715-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
EP-2275406-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed
EP-2242788-A1 ALKYLPHENOL FOR ADJUSTING THE MOLECULAR WEIGHT, AND POLYCARBONATE COMPOSITIONS HAVING IMPROVED PROPERTIES Bayer MaterialScience AG (DE) 2010-10-27 EP disclosed
US-7799886-B2 Diene polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-21 US disclosed
US-20100234546-A1 DIENE POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-4454258-A COPOLYMERS OF UNSATURATED ESTERS AS BINDERS FOR POWDERED FILLERS KANEBO LTD. (JP) 1984-06-12 US disclosed
US-4440878-A NITRIDE AND BINDER BASED ON A PENTAERYTHRITOL ACRYLATE MONOMER; CURING; BONDING KANEBO, LTD. (JP) 1984-04-03 US disclosed
EP-0092260-A1 A composition of restorative material KANEBO, LTD. (JP) 1983-10-26 EP disclosed
EP-0088541-A2 Process and apparatus for continual melt hydrolysis of acetal copolymers CELANESE CORPORATION (US) 1983-09-14 EP disclosed
US-4327014-A INORGANIC NITRIDE FILLERS IN BINDERS OF PENTAERYTHRITOL TRI-OR TETRA-ACRYLATES KANEBO LTD. (JP) 1982-04-27 US disclosed
EP-0044665-A1 Transition metal composition, production and use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed
EP-0017936-A2 Compositions of restorative material especially suitable for dental filling material KANEBO, LTD. (JP) 1980-10-29 EP disclosed
US-4004017-A DITHIOBIURETS ORTHO PHARMACEUTICAL CORPORATION (US) 1977-01-18 US disclosed
US-3987097-A INCREASING AFFINITY FOR ANIONIC DYES SANDOZ LTD. (CH) 1976-10-19 US disclosed
US-3932651-A Method of inducing infertility in male animals and inhibiting the growth of the prostate ORTHO PHARMACEUTICAL CORPORATION (US) 1976-01-13 US disclosed