SCHEMBL128808

SCHEMBL128808

CC[Si](CC(=O)O)(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.44
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KMT2A Q03164 2/20 0.33
AKR1B1 P15121 1/20 0.33
MAPT P10636 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL5711158 0.94 FFAR3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL6828843 0.79 LMNA (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5711126 0.77 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL16554200 0.73
SCHEMBL5711124 0.73 AKR1B1 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1729936 0.71 AKR1B1 (0.48) KMT2AAKR1B1MAPTGPR84PPARG
SCHEMBL8559186 0.71 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL630993 0.69 CYP2D6 (0.33) FFAR3ALDH1A1TDP1
SCHEMBL9486619 0.69 ALDH1A1 (0.44) FFAR3ALDH1A1TDP1HSD17B10LMNA
SCHEMBL632284 0.67 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153705-B2 Silyl esters, their use in binder systems and paint compositions and a process for production thereof SIGMAKALON B.V. (NL) 2012-04-10 US disclosed
US-8148446-B2 Silyl esters, their use in binder systems and paint compositions and a process of production thereof SIGMAKALON B.V. (NL) 2012-04-03 US disclosed
EP-1608716-B8 PROCESS FOR THE PREPARATION OF POLY(SILYL ESTER)S, AND THEIR USES PPG BV (NL) 2012-03-07 EP disclosed
EP-1608716-B1 PROCESS FOR THE PREPARATION OF POLY(SILYL ESTER)S, AND THEIR USES SIGMAKALON B V (NL) 2011-11-16 EP disclosed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
US-7902313-B2 Process for the preparation of poly(silyl ester)s, and their uses SIGMAKALON B.V. (NL) 2011-03-08 US disclosed
US-20100249298-A1 Silyl esters, their use in binder systems and paint compositions and a process of production thereof GILLARD MICHEL 2010-09-30 US disclosed
US-20070161722-A1 Silyl Esters, Their Use in Binder Systems and Paint Compositions and a Process for Production Thereof SIGMA COATINGS B.V. (NL) 2007-07-12 US disclosed
US-20060241240-A1 Process for the preparation of poly(silyl ester)s, and their uses SIGMA KALON B.V. (NL) 2006-10-26 US disclosed
EP-1620514-A2 SILYL ESTERS, THEIR USE IN BINDER SYSTEMS AND PAINT COMPOSITIONS AND A PROCESS OF PRODUCTION THEREOF SigmaKalon B.V. (NL) 2006-02-01 EP disclosed
EP-1608716-A1 PROCESS FOR THE PREPARATION OF POLY(SILYL ESTER)S, AND THEIR USES SigmaKalon B.V. (NL) 2005-12-28 EP disclosed
WO-2004099326-A2 SILYL ESTERS, THEIR USE IN BINDER SYSTEMS AND PAINT COMPOSITIONS AND A PROCESS OF PRODUCTION THEREOF SIGMAKALON B.V. (NL) 2004-11-18 WO disclosed
EP-1475415-A1 Silyl esters, their use in binder systems and paint compositions and a process of production thereof SigmaKalon Services B.V. (NL) 2004-11-10 EP disclosed
WO-2004085560-A1 PROCESS FOR THE PREPARATION OF POLY(SILYL ESTER)S, AND THEIR USES SIGMAKALON B.V. (NL) 2004-10-07 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 (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-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 FFAR3 415/4885HDAC3 509/4885HDAC1 291/4885
US-20100249298-A1 Silyl esters, their use in binder systems and paint compositions and a process of production thereof LCT, PCMT1, TST FFAR3 4118/4885HDAC3 2304/4885HDAC1 3456/4885

“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.