SCHEMBL3669016

SCHEMBL3669016

CCO[Si](OCC)(OCC)c1ccccc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
HTR7 P34969 1/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL29520127 0.84 ALDH1A1 (0.33) ALDH1A1TSHRCYP1A2
SCHEMBL331176 0.84 ALDH1A1 (0.33) ALDH1A1TSHRCYP1A2
SCHEMBL28045154 0.84 HTR7 (0.33) ALDH1A1TSHRCYP1A2CYP2D6NFKB1
Benzene SCHEMBL28867986 0.82 LTA4H (0.37) ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL20535727 0.82 HTR7 (0.34) ALDH1A1TSHRCYP1A2CYP2D6NFKB1
SCHEMBL6743956 0.80 ALDH1A1 (0.32) ALDH1A1TSHRCYP1A2CYP2D6NFKB1
SCHEMBL1109615 0.78 PKM (0.34) ALDH1A1TSHR
SCHEMBL109759 0.77 TSHR (0.38) ALDH1A1TSHRCYP1A2LMNAHTT
SCHEMBL28045163 0.76 ELANE (0.34) TSHRCYP1A2CYP2D6NFKB1CYP2C19
SCHEMBL445217 0.76 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19IDO1HTR7

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
CN-105163854-A Method for producing catalyst for synthesizing cyclic carbonate NAT INST OF ADVANCED IND SCIEN 2015-12-16 CN disclosed
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed
CN-105121013-A Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEM CO LTD 2015-12-02 CN disclosed
EP-2243172-A1 PHOTOVOLTAIC DEVICE BASED ON CONFORMAL COATING OF COLUMNAR STRUCTURES The Governors Of The University Of Alberta (CA) 2010-10-27 EP 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-20090211632-A1 PHOTOVOLTAIC DEVICE BASED ON CONFORMAL COATING OF COLUMNAR STRUCTURES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2009-08-27 US disclosed
WO-2009100519-A1 PHOTOVOLTAIC DEVICE BASED ON CONFORMAL COATING OF COLUMNAR STRUCTURES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2009-08-20 WO 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-20090246716-A1 HIGH REFRACTIVE INDEX SOL-GEL COMPOSITION AND METHOD OF MAKING PHOTO-PATTERNED STRUCTURES ON A SUBSTRATE SOS1, SOS2, MMS19 ALDH1A1 2390/4885TSHR 3674/4885CYP1A2 4334/4885

“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.