SCHEMBL2354847

SCHEMBL2354847

CC1Cc2cc3c(cc2C1=O)C(C)(C)CC3(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.53
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
METAP1 P53582 1/20 0.30

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
SCHEMBL6908201 0.90 ACHE (0.53) ACHE
SCHEMBL18009557 0.74 ACHE (0.53) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL14156890 0.72 ACHE (0.53) ACHE
SCHEMBL3658017 0.72 ACHE (0.61) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL20692255 0.72 ACHE (0.59) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL29621066 0.72 ACHE (0.61) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8099829 0.72 ACHE (0.69) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL8091521 0.72 ACHE (0.69) ACHEKDM4EMEN1ALDH1A1GAA
SCHEMBL6250546 0.71 BRD4 (0.32)
SCHEMBL19290149 0.71 RARA (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003743-B2 Low elastic modulus, high molecular weight; high yield; polymerization catalysts such as dimethylsilanediyl{5-(1,1,3,3,6-pentamethyl-1,2,3,5-tetrahydroindacenyl)-7-(2,5-dimethyl-cyclopenta[1,2-b:4,3-b']-dithiophene)}zirconium dichloride Basell Poliolefine Italia, s.r.l. (IT) 2011-08-23 US disclosed
US-8003743-B2 Low elastic modulus, high molecular weight; high yield; polymerization catalysts such as dimethylsilanediyl{5-(1,1,3,3,6-pentamethyl-1,2,3,5-tetrahydroindacenyl)-7-(2,5-dimethyl-cyclopenta[1,2-b:4,3-b']-dithiophene)}zirconium dichloride Basell Poliolefine Italia, s.r.l. (IT) 2011-08-23 US disclosed
US-8003743-B2 Low elastic modulus, high molecular weight; high yield; polymerization catalysts such as dimethylsilanediyl{5-(1,1,3,3,6-pentamethyl-1,2,3,5-tetrahydroindacenyl)-7-(2,5-dimethyl-cyclopenta[1,2-b:4,3-b']-dithiophene)}zirconium dichloride Basell Poliolefine Italia, s.r.l. (IT) 2011-08-23 US disclosed
US-7589160-B2 homopolymerizing butene/1-/ or copolymerizing with ethylene or propylene in presnece of a metallocene catalyst such as dimethyl-bis-(2,5,5,7,7-pentamethyl-1,5,6,7-tetrahydro-s-indacen-1-yl)-silane, an alumoxane or aluminum compound ( triisobutylaluminum) BASELL POLYOLEFINE GMBH (DE) 2009-09-15 US disclosed
US-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom BASELL POLYOLEFINE GMBH (DE) 2008-06-12 US disclosed
US-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom BASELL POLYOLEFINE GMBH (DE) 2008-06-12 US disclosed
US-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom BASELL POLYOLEFINE GMBH (DE) 2008-06-12 US disclosed
EP-1567565-B1 PROCESS FOR PREPARING 1-BUTENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2008-01-09 EP disclosed
EP-1765886-A1 METALLOCENE COMPOUNDS, LIGANDS USED IN THEIR PREPARATION, PREPARATION OF 1-BUTENE POLYMERS AND 1-BUTENE POLYMERS THEREFROM Basell Polyolefine GmbH (DE) 2007-03-28 EP disclosed
US-20060052553-A1 Process for preparing 1-butene polymers BASELL POLYOLEFINE GMBH (DE) 2006-03-09 US disclosed
WO-2006005648-A1 METALLOCENE COMPOUNDS, LIGANDS USED IN THEIR PREPARATION, PREPARATION OF 1-BUTENE POLYMERS AND 1-BUTENE POLYMERS THEREFROM BASELL POLYOLEFINE GMBH (DE) 2006-01-19 WO disclosed
EP-1567565-A1 PROCESS FOR PREPARING 1-BUTENE POLYMERS Basell Polyolefine GmbH (DE) 2005-08-31 EP disclosed
WO-2004050724-A1 PROCESS FOR PREPARING 1-BUTENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2004-06-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139762-A1 Metallocene Compounds, Ligands Used in Their Preparation, Preparation of 1-Butene Polymers and 1-Butene Polymers Therefrom CHRM1, B2M, CHRM2 ACHE 2161/4885KDM4E 4312/4885MEN1 809/4885
US-20060052553-A1 Process for preparing 1-butene polymers OR10J3, C1R, LTB4R ACHE 2646/4885KDM4E 2031/4885MEN1 2168/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.