SCHEMBL4584709

SCHEMBL4584709

CCO[Si](OCC)(OCC)c1ccc2cc3cc4ccccc4cc3cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
CYP1A2 P05177 2/20 0.38
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HBB P68871 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 3/20 0.33
MAPK1 P28482 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4585250 1.00 CYP2A6 (0.38) CYP2A6CYP1A2TDP1ALDH1A1CYP3A4
SCHEMBL14267373 1.00 CYP2A6 (0.38) CYP2A6CYP1A2TDP1ALDH1A1CYP3A4
SCHEMBL14267378 1.00 CYP2A6 (0.38) CYP2A6CYP1A2TDP1ALDH1A1CYP3A4
SCHEMBL29895562 0.94 CYP2A6 (0.44) CYP2A6CYP1A2TDP1ALDH1A1CYP3A4
SCHEMBL2349220 0.94 CYP2A6 (0.44) CYP2A6CYP1A2TDP1ALDH1A1CYP3A4
SCHEMBL4349511 0.94 NQO1 (0.31)
SCHEMBL15067231 0.90 NQO1 (0.33) CYP2A6CYP1A2
SCHEMBL14092873 0.88 CDC25A (0.43) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
SCHEMBL14437796 0.86
SCHEMBL4585529 0.86 CYP1A2 (0.45) CYP2A6CYP1A2TDP1ALDH1A1HSD17B10

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-20080042129-A1 Organic Thin Film Transistor and Its Fabrication Method SHARP KABUSHIKI KAISHA (JP) 2008-02-21 US disclosed
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 CYP2A6 4100/4885CYP1A2 2466/4885TDP1 4084/4885

“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.