SCHEMBL5587597

SCHEMBL5587597

CC(C)c1cccc(C(C)C)c1N=C1SCCSC1=Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL6430218 1.00 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5588837 0.98 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2LMNA
Chloromethane SCHEMBL6429998 0.95 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2LMNA
Chloromethane SCHEMBL6430000 0.95 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5590202 0.92 LMNA (0.34) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5590624 0.90 LMNA (0.33) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5589161 0.80
SCHEMBL14276094 0.80 CNR2 (0.39) LMNACNR2
SCHEMBL5586594 0.79
SCHEMBL6432936 0.78 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20050090630-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY (US) 2005-04-28 US disclosed
US-6822062-B2 FOR USE IN ADDITION POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY 2004-11-23 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
US-20040029720-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY 2004-02-12 US disclosed
US-6660677-B1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY 2003-12-09 US disclosed
US-20020058768-A1 Supported group 8-10 transition metal Olefin polymerization catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2002-05-16 US disclosed
US-6303720-B1 E.G., NICKEL COMPLEX OF 2,3-BIS(2,6-DIMETHYLPHENYLIMINO)-(1,4)-DITHIANE EASTMAN CHEMICAL COMPANY 2001-10-16 US disclosed
EP-1082362-A1 SUPPORTED GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2001-03-14 EP disclosed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 US disclosed
EP-0973762-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS , PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 2000-01-26 EP disclosed
WO-1999062968-A1 SUPPORTED GROUP 8-10 TRANSITION METAL OLEFIN POLYMERIZATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 1999-12-09 WO disclosed
WO-1998040374-A2 OLEFIN POLYMERIZATION CATALYSTS CONTAINING GROUP 8-10 TRANSITION METALS, BIDENTATE LIGANDS, PROCESSES EMPLOYING SUCH CATALYSTS AND POLYMERS OBTAINED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1998-09-17 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 GABRA1 3688/4885GABRG2 3901/4885GABRB3 3425/4885

“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.