SCHEMBL6748539

SCHEMBL6748539

CO[Si](OC)(OC)c1cccc2cc3cc4ccccc4cc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 2/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
CYP1A2 P05177 3/20 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
SCHEMBL29503121 0.98 NQO1 (0.44) NQO1ALDH1A1KDM4EGAATUBB4A
SCHEMBL1616108 0.98 NQO1 (0.44) NQO1ALDH1A1KDM4EGAATUBB4A
SCHEMBL2346486 0.84 NQO1 (0.36) NQO1ALDH1A1KDM4EGAATUBB4A
SCHEMBL6744734 0.84 NQO1 (0.41) NQO1ALDH1A1KDM4EGAATUBB4A
SCHEMBL12274478 0.83 NQO1 (0.44) NQO1ALDH1A1KDM4EGAATUBB4A
SCHEMBL3297404 0.81 NQO1 (0.42) NQO1ALDH1A1KDM4EGAATUBB4A
SCHEMBL4585248 0.81 NQO1 (0.35) NQO1ALDH1A1KDM4EGAACYP1A2
SCHEMBL4584706 0.81 NQO1 (0.35) NQO1ALDH1A1KDM4EGAACYP1A2
SCHEMBL27686189 0.81 NQO1 (0.35) NQO1ALDH1A1KDM4EGAACYP1A2
SCHEMBL105580 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP2A6HSD17B10

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-6696588-B2 OXIDATION POTENTIAL OF .3-1.5 V ON THE BASIS OF A STANDARD HYDROGEN ELECTRODE, ALKOXY AND AROMATIC AMINE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-24 US disclosed
EP-0861845-B1 Silicon-containing compound and organic electroluminescence device using the same SUMITOMO CHEMICAL CO (JP) 2003-05-28 EP disclosed
US-20020115877-A1 Silicon-containing compound and organic electroluminescence device using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2002-08-22 US disclosed
US-6369258-B1 SILICON COMPOUND WITH OXIDATION POTENTIAL ON HYDROGEN ELECTRODE POTENTIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-09 US disclosed
EP-0861845-A2 Silicon-containing compound and organic electroluminescence device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 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-20020115877-A1 Silicon-containing compound and organic electroluminescence device using the same EPCAM, PIEZO1, OR10J3 NQO1 2288/4885ALDH1A1 460/4885KDM4E 296/4885

“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.