SCHEMBL1039864

SCHEMBL1039864

CC(C)(C)c1cccc(F)c1P(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.31
ALOX12 P18054 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
SCHEMBL1043033 0.80 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1041734 0.80 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1039758 0.78 CES2 (0.36)
SCHEMBL1041027 0.72 ACHE (0.48) CA2ALDH1A1TSHR
SCHEMBL6763814 0.72 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL5699639 0.71 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL179259 0.71 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1041308 0.71 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL1041648 0.71 SMN1; SMN2 (0.42) CA2ALDH1A1
SCHEMBL8254661 0.70 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR

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 CA2 1200/4885GABRA1 4418/4885GABRB2 4604/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 CA2 1200/4885GABRA1 4418/4885GABRB2 4604/4885

“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.