SCHEMBL5084616

SCHEMBL5084616

CCOCC1(CO[Si](CC)(CC)CC)c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDK2 Q15119 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNQ2 O43526 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL5078671 0.92 APEX1 (0.37) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL5080886 0.88 PDK2 (0.34) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL29757337 0.87 APEX1 (0.40) APEX1CYP1A2PDK2SMN1; SMN2KCNQ2
SCHEMBL6437219 0.87 APEX1 (0.40) APEX1CYP1A2PDK2SMN1; SMN2KCNQ2
SCHEMBL5082314 0.86 SMN1; SMN2 (0.33) APEX1CYP1A2CYP2C19KMT2AHSD11B1
SCHEMBL5078642 0.86 APEX1 (0.33) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL5078695 0.86 SMN1; SMN2 (0.34) APEX1CYP1A2CYP2C19KMT2AHSD11B1
SCHEMBL5084692 0.82 APEX1 (0.34) APEX1CYP1A2CYP2C19KMT2APDK2
SCHEMBL5080936 0.81 PDK2 (0.32) APEX1CYP1A2CYP2C19KMT2AHSD11B1
SCHEMBL5082359 0.81 SMN1; SMN2 (0.34) APEX1CYP1A2CYP2C19KMT2ASMN1; SMN2

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-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 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
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 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 1975/4885CYP1A2 959/4885CYP2C19 588/4885

“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.