SCHEMBL819362

SCHEMBL819362

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Ti](Cl)(Cl)(=C(C)C)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 3/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL820472 0.83 PDCD1 (0.33)
SCHEMBL820022 0.82 CA12 (0.31) CA12CA1CA2CA9ALDH1A1
SCHEMBL8357760 0.82 ENPP3 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL396680 0.82 KDM1A (0.31) SLC6A4CA12CA1CA2CA9
SCHEMBL8204852 0.80 ALDH1A1 (0.33) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL396681 0.79 ALDH1A1 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL2534287 0.78
SCHEMBL5612618 0.77
SCHEMBL5612498 0.77 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL4060837 0.76 CA12 (0.33) SLC6A3CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247510-B2 Copolymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20110288250-A1 Copolymer and Production Process Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 US disclosed
US-8044159-B2 Homopolymer and copolymer, and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-25 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-1113026-B1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2009-12-09 EP disclosed
US-20090171054-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 US disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6921800-B2 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-26 US disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20040224838-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer FUJITA MASAYUKI (JP) 2004-11-11 US disclosed
US-6664208-B1 For synthesis of highly stereoregular high molecular weight alphaolefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-16 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20020143124-A1 Homogeneous type solid catalyst component or homogeneous type solid catalyst, process for production thereof and process for producing addition polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-03 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
EP-0985673-A2 Modified aluminium oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-15 EP 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-20040224838-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer AHR, ALOX5AP, ALOX15B SLC6A2 3138/4885SLC6A4 2870/4885SLC6A3 3463/4885

“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.