SCHEMBL4086934

SCHEMBL4086934

CCO[Si](OCC)(OCC)c1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
THRB P10828 1/20 0.42
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL6751514 0.86 CYP1A2 (0.41) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL4093161 0.85 HPGD (0.35) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL2350568 0.83 ALDH1A1 (0.44) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL6751405 0.81 ALDH1A1 (0.47) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL6746739 0.81 CYP1A2 (0.43) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL13933203 0.79 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL4351390 0.79 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL6746781 0.78 HPGD (0.35) CYP1A2ALDH1A1HPGDHSD17B10THRB
SCHEMBL4096457 0.78 GABRP (0.32) ALDH1A1
SCHEMBL4929278 0.77 CYP1A2 (0.37) CYP1A2ALDH1A1HPGDHSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE NITTO DENKO CORPORATION (JP) 2009-10-01 US disclosed
WO-2009120410-A2 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE NITTO DENKO CORPORATION (JP) 2009-10-01 WO 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 (2 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 CYP1A2 2466/4885ALDH1A1 460/4885HPGD 4102/4885
US-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE SOS1, SOS2, MMS19 CYP1A2 4334/4885ALDH1A1 2390/4885HPGD 1640/4885

“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.