SCHEMBL2229008

SCHEMBL2229008

CC(=Nc1ccccc1C)c1cccc(C(C)=Nc2ccccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PABPC1 P11940 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
EBP Q15125 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
KDM4E B2RXH2 3/20 0.39
CYP2C9 P11712 1/20 0.38
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL808900 1.00 SIGMAR1 (0.46) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL5693829 0.98 SIGMAR1 (0.45) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL5606687 0.98 SIGMAR1 (0.45) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL5588687 0.98 SIGMAR1 (0.45) SIGMAR1ESR2ESR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL3290040 0.96 SIGMAR1 (0.44) SIGMAR1ESR2ESR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1539025 0.96 SIGMAR1 (0.44) SIGMAR1ESR2ESR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1539024 0.96 SIGMAR1 (0.46) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL15082888 0.93 SIGMAR1 (0.41) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL15082897 0.93 SIGMAR1 (0.45) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL12266826 0.93 SIGMAR1 (0.41) SIGMAR1ESR2ESR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
WO-2011089000-A1 PROCESS FOR THE PREPARATION OF ETHYLENE COPOLYMER COMPOSITIONS IN THE PRESENCE OF AN OLIGOMERIZATION CATALYST BASELL POLYOLEFINE GMBH (DE) 2011-07-28 WO disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
EP-1919850-B1 NITRO SUBSTITUTED ALPHA-OLEFIN SYNTHESIS CATALYSTS DU PONT (US) 2009-03-18 EP disclosed
US-20080194768-A1 Nitro substituted alpha -olefin synthesis catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2008-08-14 US disclosed
EP-1943281-A1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE Basell Polyolefine GmbH (DE) 2008-07-16 EP disclosed
EP-1919850-A2 NITRO SUBSTITUTED ALPHA-OLEFIN SYNTHESIS CATALYSTS E.I.Du pont de nemours and company (US) 2008-05-14 EP disclosed
EP-1740598-B1 TRANSITION METAL COMPLEXES SHELL INT RESEARCH (NL) 2008-03-05 EP disclosed
US-7297806-B2 Ethylene oligomerization catalyst comprising an iron complex of a 2,6-bis(1-(phenylimino)ethyl)pyridine ligand of given formula with a Lewis acid such as methylalumoxane; forms alpha-olefins of formula H-(CH2-CH2)q-CH=CH2 q=1-18 EI DU PONT DE NEMOURS AND COMPANY (US) 2007-11-20 US disclosed
US-20030144514-A1 Non-symmetrical ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins DE BOER ERIC JOHANNES MARIA (NL) 2003-07-31 US disclosed
US-20030050494-A1 Manufacture of alpha-olefins BROOKHART MAURICE S (US) 2003-03-13 US disclosed
US-20030036615-A1 Manufacture of alpha-olefins BROOKHART MAURICE S (US) 2003-02-20 US disclosed
EP-0994831-B1 MANUFACTURE OF ALPHA-OLEFINS DU PONT (US) 2003-01-29 EP disclosed
US-6489497-B1 SELECTED 2,6-PYRIDINEDICARBOXALDEHYDE BISIMINES USEFUL AS TRIDENTATE LIGANDS FOR ETHYLENE OLIGOMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY 2002-12-03 US disclosed
US-20020128409-A1 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY 2002-09-12 US disclosed
US-20020028941-A1 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY 2002-03-07 US disclosed
US-20020016425-A1 Non-symmetrical ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins SHELL OIL COMPANY 2002-02-07 US disclosed
US-6103946-A BY CONTACTING ETHYLENE WITH AN IRON COMPLEX OF A SELECTED 2,6-PYRIDINEDICARBOXALDEHYDE BISIMINE OR A SELECTED 2,6-DIACYLPYRIDINE BISIMINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-15 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 (4 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-20030050494-A1 Manufacture of alpha-olefins ALOX12, ALOX15B, AP1M1 SIGMAR1 1623/4885ESR2 533/4885ESR1 830/4885
US-20080194768-A1 Nitro substituted alpha -olefin synthesis catalysts ETFA, CBR1, ETFB SIGMAR1 441/4885ESR2 611/4885ESR1 707/4885
US-20030144514-A1 Non-symmetrical ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins OPRM1, AP1M1, OPRD1 SIGMAR1 21/4885ESR2 686/4885ESR1 935/4885
US-20020028941-A1 Ligands and catalyst systems thereof for ethylene oligomerisation to linear alpha olefins OPRM1, OPRD1, PYM1 SIGMAR1 37/4885ESR2 535/4885ESR1 620/4885

“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.