SCHEMBL4093161

SCHEMBL4093161

CCO[Si](OCC)(OCC)c1ccc2c3cccc4cccc(c5cccc1c52)c43

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 1/20 0.35
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ADORA2B P29275 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
HTR1B P28222 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
SCHEMBL4096457 0.93 GABRP (0.32) ALDH1A1
SCHEMBL2350568 0.88 ALDH1A1 (0.44) HPGDCYP1A2ALDH1A1HSD17B10THRB
SCHEMBL29777525 0.88 ALDH1A1 (0.44) HPGDCYP1A2ALDH1A1HSD17B10THRB
SCHEMBL14437803 0.85
SCHEMBL6748572 0.85 CYP1A2 (0.34) HPGDCYP1A2ALDH1A1HSD17B10THRB
SCHEMBL4086934 0.85 CYP1A2 (0.42) HPGDCYP1A2ALDH1A1HSD17B10THRB
SCHEMBL13933203 0.84 ALDH1A1 (0.32) HPGDALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL4351390 0.84 ALDH1A1 (0.32) HPGDALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL14437807 0.83
SCHEMBL6749506 0.81 ALDH1A1 (0.39) HPGDCYP1A2ALDH1A1HSD17B10THRB

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 8 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
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 HPGD 4102/4885CYP1A2 2466/4885ALDH1A1 460/4885
US-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE SOS1, SOS2, MMS19 HPGD 1640/4885CYP1A2 4334/4885ALDH1A1 2390/4885

“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.