SCHEMBL2513992

SCHEMBL2513992

CC1=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc2C1[Zr](Cl)(Cl)(C1C(C(C)C)=Cc2c(-c3ccc(C4CCCCC4)cc3)cccc21)[SiH](C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
S1PR5 Q9H228 1/20 0.33
APP P05067 1/20 0.31
PTGS2 P35354 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
SCHEMBL4461030 0.96 APP (0.32) S1PR1S1PR5APP
SCHEMBL2513007 0.95 S1PR1 (0.34) S1PR1S1PR5APPPTGS2
SCHEMBL4479930 0.94 CYP3A4 (0.33) S1PR1S1PR5
SCHEMBL1023781 0.92 S1PR1 (0.32) S1PR1S1PR5
SCHEMBL5951608 0.92 S1PR1 (0.38) S1PR1S1PR5APPPTGS2
SCHEMBL4464839 0.92
SCHEMBL4463039 0.91 S1PR1 (0.32) S1PR1S1PR5
SCHEMBL1024288 0.90 S1PR1 (0.33) S1PR1S1PR5APP
SCHEMBL1024441 0.90 S1PR1 (0.33) S1PR1S1PR5APP
SCHEMBL4465418 0.89 APP (0.30) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034886-B2 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2011-10-11 US disclosed
US-20100056737-A1 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-03-04 US disclosed
US-7598329-B2 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts TICONA GMBH (DE) 2009-10-06 US disclosed
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20070105712-A1 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2007-05-10 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX S1PR1 3967/4885S1PR5 4420/4885APP 1935/4885

“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.