SCHEMBL838952

SCHEMBL838952

CCCC(C)[Si](O)(C(C)CCC)C(C)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
FDPS P14324 1/20 0.32
HCAR3 P49019 1/20 0.32
METAP1 P53582 1/20 0.31
GRIK1 P39086 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
SCHEMBL6114912 0.82 ALDH1A1 (0.39) TDP1FDPS
SCHEMBL837006 0.81 TSHR (0.41) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL839076 0.81
SCHEMBL6115183 0.80 OPRM1 (0.46) FDPS
SCHEMBL6114882 0.78 SPHK1 (0.46) FDPS
SCHEMBL6114510 0.78 SPHK1 (0.46) FDPS
SCHEMBL6114748 0.78 SPHK1 (0.46) FDPS
SCHEMBL6114632 0.78 SPHK1 (0.46) FDPS
SCHEMBL6114879 0.78 SPHK1 (0.46) FDPS
SCHEMBL6114552 0.78 SPHK1 (0.46) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150244028-A1 NONAQUEOUS SECONDARY CELL, AND FIRE-RETARDANT AGENT AND ADDITIVE FOR NONAQUEOUS SECONDARY CELL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-27 US disclosed
EP-2821395-A2 Novel disulfonic acid ester as an additive for an electrolyte for a lithium secondary battery Wako Pure Chemical Industries, Ltd. (JP) 2015-01-07 EP disclosed
US-8716513-B2 Process for production of bis-quaternary ammonium salt, and novel intermediate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-06 US disclosed
EP-1904415-B1 HYDROPHOBING MINERALS AND FILLER MATERIALS DOW CORNING (US) 2014-03-12 EP disclosed
EP-2463266-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE Wako Pure Chemical Industries, Ltd. (JP) 2012-06-13 EP disclosed
US-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-24 US disclosed
US-8142856-B2 Preparing hydrolyzate containing polysiloxanes by hydrolyzing hydrolysable silane or hydrolysable silane mixture in presence of acid hydrolysis catalyst andcombining polysiloxane hydrolyzate with mineral and/or filler and optionally with water and/or a catalyst for condensation of the hydrolyzate DOW CORNING CORPORATION (US) 2012-03-27 US disclosed
US-20080286474-A1 Hydrophobing Minerals and Filler Materials DOW SILICONES CORPORATION 2008-11-20 US disclosed
EP-1904415-A2 HYDROPHOBING MINERALS AND FILLER MATERIALS Dow Corning Corporation (US) 2008-04-02 EP disclosed
WO-2007009935-A2 HYDROPHOBING MINERALS AND FILLER MATERIALS DOW CORNING CORPORATION (US) 2007-01-25 WO disclosed
US-5106959-A Intermediates for ceramics, gels, films, optical fibers, polymerization catalysts and silicone curing agents RHONE-POULENC, INC. (US) 1992-04-21 US disclosed
US-5099006-A ompounds for use in paints, for waterproofing, as adhesion promoters, mordants, sizing agents and intermediates RHONE-POULENC INC. (US) 1992-03-24 US disclosed
US-5017695-A With cerium ammonium nitrate and silanol-type compound RHONE-POULENC, INC. (US) 1991-05-21 US disclosed
US-5017694-A With silanol-type compounds RHONE-POULENC, INC. (US) 1991-05-21 US disclosed
EP-0324671-A2 Alkoxy-type derivatives of trivalent metals of group 3b, and their preparation RHONE-POULENC CHIMIE (FR) 1989-07-19 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 (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-20120130107-A1 PROCESS FOR PRODUCTION OF BIS-QUATERNARY AMMONIUM SALT, AND NOVEL INTERMEDIATE ASS1, C1S, FHIT TSHR 689/4885CHRM1 61/4885AKR1A1 411/4885

“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.