SCHEMBL4425093

SCHEMBL4425093

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 3/20 0.37
PLA2G1B P04054 1/20 0.35
MAPT P10636 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
AGTR1 P30556 3/20 0.35
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL4425088 1.00 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5354758 0.93 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29494130 0.93 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31465572 0.93 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL819043 0.93 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28374465 0.91 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL818887 0.90 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL3824137 0.90 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24404238 0.87 NOS3 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21113676 0.87 NOS3 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589245-B2 Process for preparing linear alpha olefins SHELL OIL COMPANY (US) 2009-09-15 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
EP-1765748-B1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INT RESEARCH (NL) 2008-09-24 EP disclosed
EP-1740598-B1 TRANSITION METAL COMPLEXES SHELL INT RESEARCH (NL) 2008-03-05 EP disclosed
US-7238764-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2007-07-03 US disclosed
US-7238764-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2007-07-03 US disclosed
EP-1765748-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS Shell Internationale Research Maatschappij B.V. (NL) 2007-03-28 EP disclosed
EP-1740598-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2007-01-10 EP disclosed
US-7037988-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2006-05-02 US disclosed
WO-2006005762-A1 PROCESS FOR PREPARING LINEAR ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-01-19 WO disclosed
US-20060014989-A1 Process for preparring linear alpha olefins SHELL OIL COMPANY 2006-01-19 US disclosed
US-20050215792-A1 Transition metal complexes SHELL OIL COMPANY 2005-09-29 US disclosed
WO-2005090371-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-09-29 WO disclosed
US-20050059786-A1 Process for the co-oligomerisation of ethylene and alpha olefins DE BOER ERIC JOHANNES MARIA (NL) 2005-03-17 US disclosed
EP-1322576-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-07-02 EP disclosed
US-20020128409-A1 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY 2002-09-12 US disclosed
WO-2002028805-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-04-11 WO 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 (2 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-20050215792-A1 Transition metal complexes NCLN, PRNP, PARN GRIN2D 944/4885GRIN3B 1115/4885GRIN1 1604/4885
US-20060014989-A1 Process for preparring linear alpha olefins ITGAL, CCNL2, TRA2B GRIN2D 945/4885GRIN3B 1649/4885GRIN1 1308/4885

“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.