SCHEMBL5067417

SCHEMBL5067417

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)(C)(C)(=[SiH2])C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR2B P41595 3/20 0.31
TMEM97 Q5BJF2 3/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
BRD4 O60885 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
SCHEMBL7935166 0.90 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4HTR2B
SCHEMBL6065657 0.90 EDNRB (0.31)
SCHEMBL5352550 0.87 PDCD1 (0.30) PDCD1CD274
SCHEMBL7597789 0.87 PDCD1 (0.30) PDCD1CD274
SCHEMBL6065482 0.86 EDNRB (0.34)
SCHEMBL6065619 0.85 BRD4 (0.32) BRD4
SCHEMBL7878211 0.84 PDCD1 (0.31) PDCD1CD274
SCHEMBL5359557 0.84 GSTP1 (0.36) CHRNB2CHRNA4
SCHEMBL6065066 0.84 CYP11B1 (0.34)
SCHEMBL7643714 0.84 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-7442667-B2 Preparation of supported cocatalysts BOSELL POLYOLEFINE GMBH (DE) 2008-10-28 US disclosed
US-20070149387-A1 Preparation of supported cocatalysts BASELL POLYOLEFINE GMBH (DE) 2007-06-28 US disclosed
US-7202190-B1 Supported catalyst system for the polymerization of olefins TARGOR GMBH (DE) 2007-04-10 US disclosed
EP-1697432-A2 PREPARATION OF SUPPORTED COCATALYSTS Basell Polyolefine GmbH (DE) 2006-09-06 EP disclosed
US-20060154804-A1 Preparation of dialkyl-ansa-metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-07-13 US disclosed
US-6953829-B2 Catalyst system and the use thereof BASELL POLYOLEFINE GMBH (DE) 2005-10-11 US disclosed
WO-2005063831-A2 PREPARATION OF SUPPORTED COCATALYSTS BASELL POLYOLEFINE GMBH (DE) 2005-07-14 WO disclosed
EP-1461346-B1 PREPARATION OF DIALKYL-ANSA-METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2005-04-13 EP disclosed
EP-1461346-A1 PREPARATION OF DIALKYL-ANSA-METALLOCENES Basell Polyolefine GmbH (DE) 2004-09-29 EP disclosed
US-20030109652-A1 Catalyst system BOHNEN HANS (DE) 2003-06-12 US disclosed
US-6506856-B2 Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal BASF AKTIENGESELLSCHAFT (DE) 2003-01-14 US disclosed
US-20030008984-A1 Novel catalyst system and the use thereof BASELL POLYOLEFINE GMBH (DE) 2003-01-09 US disclosed
US-6500908-B1 ORGANOBORON-ALUMINUM COMPOUND, METALLOCENE, COCATALYTICALLY ACTIVE COMPOUND; BIS(DIMETHYLALUMINOXY)PENTAFLUOROPHENYLBORANE; OLEFIN POLYMERIZATION CATALYST BASELL POLYOLEFINE GMBH (DE) 2002-12-31 US disclosed
US-6482902-B1 Catalyst system TARGOR GMBH (DE) 2002-11-19 US disclosed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed
US-6391989-B1 COORDINATION CATALYST ON SUPPORT; POLYMERIZATION OF ALPHA-OLEFINS BASELL POLYPROPYLEN GMBH (DE) 2002-05-21 US disclosed
US-6271164-B1 METALLOCENE CATALYST LYONDELL CHEMICAL TECHNOLOGY, L.P. 2001-08-07 US disclosed
US-6177526-B1 METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. TARGOR GMBH (DE) 2001-01-23 US disclosed
US-6177376-B1 REACTING METALLOCENE WITH ORGANOLITHIUM COMPOUND AND GRIGNARD COMPOUND, ACTIVATION, CONTACTING WITH SUPPORT TARGOR GMBH (DE) 2001-01-23 US 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 (1 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-20060154804-A1 Preparation of dialkyl-ansa-metallocenes C1R, SOD1, RPSA PDCD1 2148/4885CD274 558/4885CHRNB2 2334/4885

“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.