SCHEMBL1092104

SCHEMBL1092104

CCCCc1cc([Si](C)(C)C)ccc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 2/20 0.40
LPL P06858 6/20 0.36
TRPV1 Q8NER1 1/20 0.35
MGLL Q99685 1/20 0.35
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 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
SCHEMBL3785162 0.75 LIPG (0.49) LIPGCA1CA2TYRLPL
SCHEMBL13429483 0.71 TYR (0.40) LIPGTYRMEN1TP53CYP3A4
SCHEMBL1677079 0.70 GABRA1 (0.49) LIPGCA1CA2TYRLPL
SCHEMBL560421 0.70 LIPG (0.66) LIPGTYRLPLTRPV1MGLL
SCHEMBL17746494 0.70 ESR1 (0.34) LIPGCA2LPLESR1ESR2
SCHEMBL17044883 0.70 LIPG (0.66) LIPGTYRLPLTRPV1MGLL
SCHEMBL7031877 0.70 LIPG (0.66) LIPGTYRLPLTRPV1MGLL
SCHEMBL1128560 0.70 LIPG (0.85) LIPGCA1CA2TYRLPL
SCHEMBL29948801 0.70 LIPG (0.85) LIPGCA1CA2TYRLPL
SCHEMBL3235115 0.69 LIPG (0.50) LIPGCA1CA2TYRLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US disclosed
US-7524923-B1 Suzuki polycondensation for preparing aryl polymers from dihalide monomers DUPONT DISPLAYS, INC. (US) 2009-04-28 US disclosed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US disclosed
US-7449601-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-11-11 US disclosed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 US 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-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids DDT, AHR, DDC LIPG 2597/4885CA1 3675/4885CA2 3224/4885
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids DDT, AHR, DDC LIPG 2597/4885CA1 3675/4885CA2 3224/4885

“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.