SCHEMBL537825

SCHEMBL537825

CC(C)(C)[Si](OS(C)(=O)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.33
KEAP1 Q14145 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR6 P50406 2/20 0.31
CYP24A1 Q07973 1/20 0.31
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MAPK1 P28482 1/20 0.30
ABL1 P00519 1/20 0.30
HSD11B1 P28845 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
SCHEMBL17456530 0.83 ELANE (0.39) ALDH1A1HSD17B10TDP1HTR6CYP3A4
SCHEMBL17466333 0.81 HTR6 (0.33) HTR6ABL1
SCHEMBL537975 0.81 CA2 (0.33) PTGS1PTGS2HSD11B1
SCHEMBL14778859 0.77 KEAP1 (0.38) KEAP1ALDH1A1HSD17B10TDP1HTR6
SCHEMBL19197241 0.76 SMYD2 (0.38) ALDH1A1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL538583 0.75 KEAP1 (0.37) KEAP1ALDH1A1HSD17B10TDP1HTR6
SCHEMBL79874 0.74 MAPK1 (0.37) ALDH1A1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL15888456 0.74 MAPK1 (0.37) ALDH1A1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL22750792 0.74 KDM4E (0.40) ALDH1A1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2057888 0.74 KEAP1 (0.35) KEAP1ALDH1A1HSD17B10TDP1HTR6

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-7399845-B2 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2008-07-15 US claimed
US-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS FOUNDATION MEDICINE, INC. 2007-10-25 US claimed
US-8716435-B2 Multibranched polyoxyalkylene compound and producing method thereof NOF CORPORATION (JP) 2014-05-06 US disclosed
EP-2415800-B1 HYPERBRANCHED POLYOXYALKYLENE COMPOUND AND METHOD FOR PRODUCING SAME NOF CORP (JP) 2013-10-16 EP disclosed
CN-102378775-B Multibranched polyoxyalkylene compound and process for producing the same NIPPON OIL CORP 2013-10-09 CN disclosed
CN-102378775-A Multibranched polyoxyalkylene compound and process for producing the same NOF CORP 2012-03-14 CN disclosed
EP-2415800-A1 HYPERBRANCHED POLYOXYALKYLENE COMPOUND AND METHOD FOR PRODUCING SAME NOF Corporation (JP) 2012-02-08 EP disclosed
US-20100261863-A1 MULTIBRANCHED POLYOXYALKYLENE COMPOUND AND PRODUCING METHOD THEREOF NOF CORPORATION (JP) 2010-10-14 US 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-20070249049-A1 6-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, POLRMT, POLM NR3C2 2274/4885KEAP1 3054/4885ALDH1A1 3471/4885
US-20100261863-A1 MULTIBRANCHED POLYOXYALKYLENE COMPOUND AND PRODUCING METHOD THEREOF OPRM1, AOC2, OPRK1 NR3C2 3305/4885KEAP1 563/4885ALDH1A1 17/4885

“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.