SCHEMBL3676908

SCHEMBL3676908

COc1c(CC2=CCC=C2)cccc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
PDCD1 Q15116 2/20 0.36
NR1H4 Q96RI1 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
DPP4 P27487 1/20 0.33
EGFR P00533 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL5086444 0.81 KDM4E (0.33) CD274PDCD1
SCHEMBL31613044 0.76 HTR1A (0.43) HTR7CD274PDCD1NR1H4DPP4
SCHEMBL11293298 0.73 PDCD1 (0.59) CD274PDCD1NR1H4DPP4EGFR
SCHEMBL28841110 0.71 PDCD1 (0.44) HTR7CD274PDCD1NR1H4DPP4
SCHEMBL27427494 0.71 PDCD1 (0.44) HTR7CD274PDCD1NR1H4DPP4
SCHEMBL20957481 0.71 PDCD1 (0.44) HTR7CD274PDCD1NR1H4DPP4
SCHEMBL16428829 0.71 DPP4 (0.60) CD274PDCD1NR1H4DPP4SCN8A
SCHEMBL30327356 0.70 KEAP1 (0.47) CD274PDCD1NR1H4PDE4BPDE4A
SCHEMBL3682337 0.70 PDE4B (0.33) NR1H4PDE4BPDE4APDE4CPDE4D
SCHEMBL3682293 0.70 NR1H4 (0.34) NR1H4PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785429-B1 PROCESS FOR PRODUCING METALLOCENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-10-03 EP disclosed
US-7652159-B2 Process for producing metallocene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20080319213-A1 Process For Producing Metallocene Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1785429-A1 PROCESS FOR PRODUCING METALLOCENE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-16 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 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-20080319213-A1 Process For Producing Metallocene Compound H1-10, CNOT9, H1-4 HTR7 3004/4885CD274 2000/4885PDCD1 3155/4885

“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.