SCHEMBL1042014

SCHEMBL1042014

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
EPHX1 P07099 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XBP1 P17861 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
ACHE P22303 1/20 0.37
DHODH Q02127 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL1077885 0.83 NOTUM (0.46) NOTUMPDE3BPDE3AMAPTHTT
SCHEMBL18238741 0.80 ACHE (0.40) NOTUMACHENR1H2NR1H3
SCHEMBL13429594 0.79 NOTUM (0.41) NOTUMPDE3BPDE3AMAPTHTT
SCHEMBL25763075 0.77 NOTUM (0.45) NOTUMPDE3BPDE3AALKBH5ACHE
SCHEMBL18238072 0.77 ACHE (0.38) ACHENR1H2NR1H3
SCHEMBL18234142 0.77 MPL (0.41) PDE3BPDE3AACHE
SCHEMBL1043041 0.75 NOTUM (0.47) NOTUMPDE3BPDE3AIDO1
SCHEMBL1042815 0.75 ACHE (0.34) ACHENR1H2NR1H3
SCHEMBL169128 0.74 MAPT (0.53) NOTUMPDE3BPDE3AMAPTHTT
SCHEMBL30503592 0.74 MAPT (0.53) NOTUMPDE3BPDE3AMAPTHTT

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 4325/4885PDE3B 4853/4885PDE3A 4851/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 NOTUM 4325/4885PDE3B 4853/4885PDE3A 4851/4885

“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.