SCHEMBL1093604

SCHEMBL1093604

CC(C)(C)[Si](C)(C)c1cccc(O)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
TLR6 Q9Y2C9 1/20 0.32
PADI4 Q9UM07 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL1092768 0.82 ERN1 (0.41) ERN1CA1CA2TRIM24TRIM33
SCHEMBL2007240 0.76 ERN1 (0.50) ERN1CA1CA2TRIM24TRIM33
SCHEMBL18796166 0.75 ALDH1A1 (0.43) CA1CA2CYP3A4HDAC4HDAC2
SCHEMBL311198 0.72 ERN1 (0.54) ERN1CA1CA2TRIM24TRIM33
SCHEMBL588100 0.71 ALDH1A1 (0.54) ERN1CA1CA2TRIM24TRIM33
Charcoal, Activated SCHEMBL29407959 0.70 ERN1 (0.52) ERN1CA1CA2TRIM24TRIM33
SCHEMBL30541650 0.70 ERN1 (0.52) ERN1CA1CA2TRIM24TRIM33
SCHEMBL29220003 0.70 ERN1 (0.52) ERN1CA1CA2TRIM24TRIM33
SCHEMBL30522433 0.70 ERN1 (0.52) ERN1CA1CA2TRIM24TRIM33
Water SCHEMBL30515441 0.68 ERN1 (0.50) ERN1CA1CA2TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153830-B2 Production method of asymmetric copper complex crystal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-20100094036-A1 PRODUCTION METHOD OF ASYMMETRIC COPPER COMPLEX CRYSTAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-15 US disclosed
EP-2078710-A1 METHOD FOR PRODUCING ASYMMETRIC COPPER COMPLEX CRYSTAL Sumitomo Chemical Company, Limited (JP) 2009-07-15 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 (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-20100094036-A1 PRODUCTION METHOD OF ASYMMETRIC COPPER COMPLEX CRYSTAL ADH1A, ADH1C, ALDH3A1 ERN1 2557/4885CA1 331/4885CA2 917/4885

“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.