SCHEMBL3693753

SCHEMBL3693753

CC(=Nc1c(C(C)C)cccc1C(C)C)C(C)=Nc1c(C(C)C)cccc1C(C)C.[Ni]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
LMNA P02545 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL243697 0.98 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5354209 0.98 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243698 0.98 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
Bromide SCHEMBL9938546 0.94 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL6357655 0.94 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
Bromide SCHEMBL1576200 0.94 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL6531420 0.94 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL6355270 0.92 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL7053780 0.92 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5590047 0.91 GABRA1 (0.41) 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 11 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 claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
US-6900277-B2 Effect of aluminophosphate on catalyst systems comprising metal alkyl cocatalysts PHILLIPS PETROLEUM COMPANY WASHINGTON COUNTY (US) 2005-05-31 US claimed
US-6583235-B1 Olefin polymerization; nickel and palladium diimine complexes; alkyl aluminum and alkyl zinc compounds; improved activity PHILLIPS PETROLEUM COMPANY 2003-06-24 US claimed
CN-109661399-B Cross-coupling method 里科瑞尔姆IP控股有限责任公司 2021-09-07 CN disclosed
US-7767771-B2 Chain growth reaction process INEOS EUROPE LIMITED (GB) 2010-08-03 US disclosed
US-20080200709-A1 Chain growth reaction process BARCLAYS BANK PLC (GB) 2008-08-21 US disclosed
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

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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 GABRA1 3688/4885GABRG2 3901/4885GABRB3 3425/4885
US-20080200709-A1 Chain growth reaction process ALOX12, ADH1A, ADH1C GABRA1 804/4885GABRG2 659/4885GABRB3 699/4885

“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.