SCHEMBL1038085

SCHEMBL1038085

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KIF11 P52732 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
SCHEMBL1040725 0.85 SMN1; SMN2 (0.42)
SCHEMBL1536697 0.81 CES2 (0.36)
SCHEMBL1043315 0.81 GABBR2 (0.33) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL1041308 0.81 GABRA1 (0.31) GABBR2GABBR1GABRA1GABRB2
SCHEMBL1043033 0.74 CA2 (0.40) GABRA1GABRB2KIF11
SCHEMBL1041996 0.74 GABBR2 (0.36) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL21513950 0.73 GABBR2 (0.38) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL5699601 0.72 GABRA1 (0.40) GABBR2GABBR1GABRA1GABRB2
SCHEMBL22278549 0.70 GABRA1 (0.39) GABBR2GABBR1GABRA1GABRB2KIF11
SCHEMBL21479489 0.70 POLB (0.41) 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.