SCHEMBL5078692

SCHEMBL5078692

c1ccc([Si](OCC2(CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
KCNQ2 O43526 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DUT P33316 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
KCNH2 Q12809 1/20 0.31
PBRM1 Q86U86 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL5080875 0.92 APEX1 (0.36) APEX1KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL5084692 0.89 APEX1 (0.34) APEX1CYP1A2PDK2
SCHEMBL5085242 0.87 PDK2 (0.33) APEX1CYP2C9PDK2
SCHEMBL5084641 0.87 PDK2 (0.42) APEX1KCNQ2CYP3A4ALOX15TSHR
SCHEMBL5078718 0.82 APEX1 (0.39) APEX1KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL5080869 0.77 APEX1 (0.35) APEX1PDK2
SCHEMBL5082343 0.77 APEX1 (0.39) APEX1KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL5082359 0.75 SMN1; SMN2 (0.34) APEX1CYP1A2
SCHEMBL5078671 0.74 APEX1 (0.37) APEX1KCNQ2CYP1A2CYP3A4CYP2C9
SCHEMBL5081819 0.73 CYP2C9 (0.33) APEX1CYP2C9TDP1PDK2

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-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US claimed
US-6822109-B2 TRIHYDROCARBYLSILYLATION; ADDITION POLYMERIZATION OF OLEFINS CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2004-11-23 US claimed
US-20040106814-A1 Silicon ether compound, a method for the preparation thereof and use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2004-06-03 US claimed
US-7323431-B2 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-01-29 US disclosed
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US disclosed
US-6822109-B2 TRIHYDROCARBYLSILYLATION; ADDITION POLYMERIZATION OF OLEFINS CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2004-11-23 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 (1 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-20040106814-A1 Silicon ether compound, a method for the preparation thereof and use thereof SIK1, CDK20, SGMS1 APEX1 1975/4885KCNQ2 2637/4885CYP1A2 959/4885

“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.