SCHEMBL1041996

SCHEMBL1041996

CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ACP1 P24666 1/20 0.33
KIF11 P52732 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
CYP1A2 P05177 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
CES2 O00748 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL198146 0.89 GABRA1 (0.42) GABBR2GABBR1GABRA1GABRB2POLB
SCHEMBL1041770 0.85 POLB (0.40) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL1041359 0.83 SMN1; SMN2 (0.46) ACP1POLBCYP1A2KDM4EMAPT
SCHEMBL1042998 0.79 CES2 (0.40) ACP1MAPTALDH1A1CES2NPSR1
SCHEMBL1039800 0.78 HSP90AA1 (0.35) GABBR2GABBR1GABRA1GABRB2POLB
SCHEMBL1042021 0.78 GABBR2 (0.36) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL17594925 0.77 POLB (0.44) GABBR2GABBR1GABRA1GABRB2POLB
SCHEMBL21513950 0.77 GABBR2 (0.38) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL21479489 0.75 POLB (0.41) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL22278549 0.75 GABRA1 (0.39) GABBR2GABBR1GABRA1GABRB2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 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 (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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 GABBR2 4791/4885GABBR1 4824/4885GABRA1 4418/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 GABBR2 4791/4885GABBR1 4824/4885GABRA1 4418/4885

“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.