SCHEMBL1041872

SCHEMBL1041872

C[Si](C)(C)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.39
KMO O15229 2/20 0.39
ACHE P22303 1/20 0.37
PDE2A O00408 1/20 0.37
GRM2 Q14416 1/20 0.36
DAO P14920 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
GRM4 Q14833 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1043041 0.83 NOTUM (0.47) NOTUMIDO1
SCHEMBL18238741 0.80 ACHE (0.40) NOTUMACHEPDE2ADAONR1H2
SCHEMBL18234125 0.77 ACHE (0.38) NOTUMACHEPDE2AGRM2DAO
SCHEMBL1074938 0.76 ACHE (0.35) ACHENR1H2NR1H3
SCHEMBL1077885 0.75 NOTUM (0.46) NOTUMACHENR1H2NR1H3
SCHEMBL12226216 0.75 AHR (0.43) NOTUMACHEIDO1CYP3A4TSHR
SCHEMBL31250605 0.75 AHR (0.43) NOTUMACHEIDO1CYP3A4TSHR
SCHEMBL1043230 0.74 IDO1 (0.44) IDO1TDO2TSHR
SCHEMBL1043249 0.74 SMN1; SMN2 (0.45) NOTUMKMOPDE2ADAOCYP3A4
SCHEMBL29403188 0.73 TSHR (0.62) NOTUMKMODAOCYP3A4TSHR

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 NOTUM 4325/4885KMO 3831/4885ACHE 4428/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 NOTUM 4325/4885KMO 3831/4885ACHE 4428/4885

“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.