SCHEMBL820390

SCHEMBL820390

CCCCCCCCCCCCCOCCOCCOCCOCCOCCO[Si](C)(C)CCCS

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 2/20 0.34
USP2 O75604 1/20 0.33
CES1 P23141 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL376004 0.89 THRB (0.32) HTTMEN1THRBKMT2AMAPT
SCHEMBL375472 0.89 THRB (0.32) HTTMEN1THRBKMT2AMAPT
SCHEMBL17322737 0.89 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL16843042 0.86 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL19697948 0.85 HTT (0.43) HTTMEN1THRBKMT2AMAPT
SCHEMBL28419655 0.84 ALDH1A1 (0.32) HTTMEN1THRBKMT2AMAPT
SCHEMBL6567765 0.84 ALDH1A1 (0.32) HTTMEN1THRBKMT2AMAPT
SCHEMBL12269525 0.82 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL10021094 0.82 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL375539 0.81 ADRB2 (0.32)

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-20170233552-A1 PLASTIC-COATED MERCAPTOSILANE/WAX MIXTURE EVONIK DEGUSSA GMBH (DE) 2017-08-17 US disclosed
US-9617287-B2 Mercaptosilanes EVONIK DEGUSSA GMBH (DE) 2017-04-11 US disclosed
US-9593228-B2 Mixtures composed of functionalized diene rubbers with trimethylolpropane and fatty acid, a process for production thereof and use thereof ARLANXEO DEUTSCHLAND GMBH (DE) 2017-03-14 US disclosed
US-9512306-B2 Mercaptosilane polymer mixture EVONIK DEGUSSA GMBH (DE) 2016-12-06 US disclosed
US-20150353734-A1 MERCAPTOSILANE POLYMER MIXTURE EVONIK OPERATIONS GMBH (DE) 2015-12-10 US disclosed
US-20120270974-A1 MIXTURES COMPOSED OF FUNCTIONALIZED DIENE RUBBERS WITH TRIMETHYLOLPROPANE AND FATTY ACID, A PROCESS FOR PRODUCTION THEREOF AND USE THEREOF RHEIN CHEMIE RHEINAU GMBH (DE) 2012-10-25 US disclosed
US-20110287205-A1 Mercaptosilanes EVONIK OPERATIONS GMBH (DE) 2011-11-24 US disclosed
US-8013178-B2 Mercaptosilanes and derivatives thereof EVONIK DEGUSSA GMBH (DE) 2011-09-06 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 (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-20110287205-A1 Mercaptosilanes MSR1, MSRB3, CCNE2 HTT 3400/4885MEN1 962/4885THRB 776/4885

“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.