SCHEMBL7167695

SCHEMBL7167695

C=CCc1[c]c(CC=C)cc(CC=C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
ALDH1A1 P00352 5/20 0.39
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
MAPT P10636 3/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARA Q07869 1/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL12076598 0.88 XDH (0.34) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL991981 0.78 XDH (0.39) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL215399 0.78 XDH (0.50) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL10495883 0.76 PTGS2 (0.44) PPARGMEN1CNR1CNR2KMT2A
SCHEMBL8519206 0.75 NPC1 (0.38) MEN1CNR1CNR2KMT2AHPGD
SCHEMBL10873667 0.73 XDH (0.39) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL1158732 0.73 XDH (0.39) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL9879175 0.73 ALDH1A1 (0.39) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL2161704 0.73 XDH (0.44) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL252157 0.72 GABRA1 (0.45) XDHALDH1A1GABRA1GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101663309-A Process for preparing substituted pentacenes MERCK PATENT GMBH 2010-03-03 CN claimed
CN-101065857-A Use of phenothiazine S-oxides and phenothiazine-S,S-dioxides in the form of matrix materials for organic light-emitting diodes BASF AG (DE) 2007-10-31 CN claimed
EP-1102773-B1 PREPARATION OF TRANSITION-METAL-ALKYL-COMPLEXES CARRYING A BIDENTATE, DIANIONIC LIGAND BASELL POLYOLEFINE GMBH (DE) 2003-04-02 EP claimed
US-6441211-B1 DIRECT SYNTHESIS OF NONCYCLOPENTADIENYL GROUP IV METAL COMPLEXES CONTAINING CHELATING DIAMINES OR DIALKOXIDES BASELL TECHNOLOGY COMPANY BV (NL) 2002-08-27 US claimed
CN-1346359-A Preparation of transition metal alkyl complexes bearing bidentate dianionic ligands BASELL TECHNOLOGY CO B V (NL) 2002-04-24 CN claimed
EP-1102773-A1 PREPARATION OF TRANSITION-METAL-ALKYL-COMPLEXES CARRYING A BIDENTATE, DIANIONIC LIGAND Basell Technology Company B.V. (NL) 2001-05-30 EP claimed
WO-2000075147-A1 PREPARATION OF TRANSITION-METAL-ALKYL-COMPLEXES CARRYING A BIDENTATE, DIANIONIC LIGAND BASELL TECHNOLOGY COMPANY B.V. (NL) 2000-12-14 WO claimed
EP-2610218-B1 NITROGEN-CONTAINING GRAPHENE STRUCTURE, AND PHOSPHOR DISPERSION LIQUID TOYOTA CHUO KENKYUSHO KK (JP) 2022-04-27 EP disclosed
US-9120826-B1 Olefin hydroboration CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-09-01 US disclosed
US-9090826-B2 Light emitting body KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-07-28 US disclosed
EP-2858750-A1 PHOSPHINYL GUANIDINE COMPOUNDS, METAL SALT COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2015-04-15 EP disclosed
US-8999529-B2 Nitrogen-containing graphene structure and phosphor dispersion KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-04-07 US disclosed
CN-104394986-A Phosphinyl guanidine compounds, metal salt complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL CO 2015-03-04 CN disclosed
CN-1346359-A Preparation of transition metal alkyl complexes bearing bidentate dianionic ligands BASELL TECHNOLOGY CO B V (NL) 2002-04-24 CN disclosed
EP-1102773-A1 PREPARATION OF TRANSITION-METAL-ALKYL-COMPLEXES CARRYING A BIDENTATE, DIANIONIC LIGAND Basell Technology Company B.V. (NL) 2001-05-30 EP disclosed
WO-2000075147-A1 PREPARATION OF TRANSITION-METAL-ALKYL-COMPLEXES CARRYING A BIDENTATE, DIANIONIC LIGAND BASELL TECHNOLOGY COMPANY B.V. (NL) 2000-12-14 WO disclosed
US-5616767-A Process for making biphenylene and bisphenylene phosphites GENERAL ELECTRIC COMPANY (US) 1997-04-01 US disclosed
CN-1125436-A Vitamin D amide derivatives RES INST MEDICINE CHEM (US) 1996-06-26 CN disclosed
US-5180652-A LIGHT- AND HEAT-SENSITIVE COMPOSITION, AND RECORDING MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1993-01-19 US disclosed
US-4942117-A STABILIZED MAGENTA DYE EASTMAN KODAK COMPANY (US) 1990-07-17 US disclosed