SCHEMBL4459760

SCHEMBL4459760

[Li]C(CC(C)CC)(c1ccc(C)cc1)c1cccc(C([Li])(CC(C)CC)c2ccc(C)cc2)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2D O15399 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN2B Q13224 2/20 0.31
KIF11 P52732 10/20 0.31
TSHR P16473 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL5210805 0.90 TSHR (0.37) TSHR
SCHEMBL4015805 0.89 GRIN1 (0.40) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL11442348 0.88 GRIN1 (0.34) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL9308983 0.88 GRIA4 (0.35) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL9308548 0.86 KIF11 (0.35) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL9842165 0.83 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL136467 0.81 GRIN1 (0.44) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL11438838 0.80 GRIN1 (0.36) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B
SCHEMBL4472117 0.79 THRA (0.39)
SCHEMBL9135923 0.79 KIF11 (0.30) GRIN1GRIN2AGRIN2DGRIN2CGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211272-B1 BUTADIENE/ISOPRENE/AROMATIC VINYL HYDROCARBON SEVENBLOCK COPOLYMER AND THE PREPARING METHOD THEREOF CHINA PETROCHEMICAL CORP (CN) 2007-09-12 EP claimed
EP-1266916-B1 MULTIBLOCK COPOLYMER AND THE PREPARING METHOD THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2005-12-14 EP claimed
US-6777499-B2 SYMMETRIC STRUCTURE Y-X-Y WHERE X IS A BLOCK OF BUTADIENE AND/OR ISOPRENE AND Y IS A BLOCK OF A RANDOM COPOLYMER OF CONJUGATED DIENE AND MONOVINYL AROMATIC POLYMER; USE AS TIRE TREAD RUBBER WITH VERY LOW ENERGY LOSS CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2004-08-17 US claimed
US-20030013826-A1 Multiblock interpolymers and processes for the preparation thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-01-16 US claimed
EP-1266916-A1 MULTIBLOCK COPOLYMER THE PREPARING METHOD THEREOF China Petroleum & Chemical Corporation (CN) 2002-12-18 EP claimed
EP-1211272-A1 BUTADIENE/ISOPRENE/AROMATIC VINYL HYDROCARBON SEVENBLOCK COPOLYMER AND THE PREPARING METHOD THEREOF China Petro-Chemical Corporation (CN) 2002-06-05 EP claimed
US-6372853-B1 IN THE PRESENCE OF DIFUNCTIONAL LITHIUM BASED INITIATORS, THEN CHARGING MIXTURES CONSISTING OF THE OTHER MONOMERS INTO THE RESULTING LIVING POLYMER; BLOCK POLYMERS; OLIGOMERIZATION CHINA PETROCHEMICAL CORPORATION (CN) 2002-04-16 US claimed
EP-0472749-A1 Blanking process for reaction mixture THE DOW CHEMICAL COMPANY (US) 1992-03-04 EP claimed
US-5089572-A Pretreatment with dilithium substituted symetrical aromatic hydrocarbons for removal of proton-donor impurities THE DOW CHEMICAL COMPANY (US) 1992-02-18 US claimed
US-9701809-B2 Rubber mixture and vehicle tire CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-20160297948-A1 RUBBER MIXTURE AND VEHICLE TIRE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2016-10-13 US disclosed
EP-2886566-B1 Rubber composition and vehicle tyre CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2016-09-14 EP disclosed
US-20160168179-A1 CYCLOPOLYARYLENE METAL COMPLEX NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-06-16 US disclosed
US-9266909-B2 Cyclic compound containing functional group or containing no functional group, and method for producing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-02-23 US disclosed
EP-0316857-A2 Amine containing initiator system for anionic polymerization THE DOW CHEMICAL COMPANY (US) 1989-05-24 EP disclosed
EP-0001977-B1 SOLUBLE MULTIFUNCTIONAL LITHIUM CONTAINING INITIATORS AND THEIR USE IN A PROCESS FOR POLYMERISATION THE DOW CHEMICAL COMPANY (US) 1982-02-03 EP disclosed
US-4196154-A Soluble multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1980-04-01 US disclosed
US-4172100-A 1,3-Bis[1-(4-methylphenyl)ethenyl]benzene THE DOW CHEMICAL COMPANY (US) 1979-10-23 US disclosed
US-4172190-A Soluble multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1979-10-23 US disclosed
EP-0001977-A1 Soluble multifunctional lithium containing initiators and their use in a process for polymerisation THE DOW CHEMICAL COMPANY (US) 1979-05-30 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-20160168179-A1 CYCLOPOLYARYLENE METAL COMPLEX MCCC2, MT-CO3, SCO2 GRIN1 3179/4885GRIN2A 3319/4885GRIN2D 2733/4885

“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.