SCHEMBL5844203

SCHEMBL5844203

C=C(C)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C(=C)C)cc3)c(C(C)(C)C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
HTT P42858 2/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
NR1H4 Q96RI1 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 5/20 0.39

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
SCHEMBL13289639 0.88 NR1H4 (0.46) POLBHTTAPEX1TDP1NR1H4
SCHEMBL5842112 0.88 NR1H4 (0.43) POLBHTTAPEX1TDP1NPC1
SCHEMBL816059 0.86 HTT (0.45) POLBHTTAPEX1TDP1NPC1
SCHEMBL19799417 0.86 POLB (0.61) POLBHTTAPEX1TDP1NPC1
SCHEMBL12592442 0.86 POLB (0.61) POLBHTTAPEX1TDP1NPC1
SCHEMBL31520182 0.86 POLB (0.61) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838124 0.85 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838060 0.85 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838100 0.85 POLB (0.60) POLBHTTAPEX1TDP1NPC1
SCHEMBL13838106 0.85 POLB (0.60) POLBHTTAPEX1TDP1NPC1

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-11752713-B2 Polymer composition and methods using said polymer composition to manufacture ophthalmic lens ESSILOR INTERNATIONAL (FR) 2023-09-12 US disclosed
US-20210072425-A1 Polymer Composition and Methods Using Said Polymer Composition to Manufacture Ophthalmic Lens ESSILOR INTERNATIONAL (FR) 2021-03-11 US disclosed
EP-3084484-B1 POLYMER COMPOSITION AND METHODS USING SAID POLYMER COMPOSITION TO MANUFACTURE OPHTHALMIC LENS ESSILOR INT (FR) 2018-03-21 EP disclosed
US-20170031059-A1 Polymer Composition and Methods Using Said Polymer Composition to Manufacture Ophthalmic Lens ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-02-02 US disclosed
US-20170030898-A1 Characterization and Directed Evolution of a Methyl Binding Domain Protein for High-Sensitivity DNA Methylation Analysis MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-02-02 US disclosed
EP-3084484-A1 POLYMER COMPOSITION AND METHODS USING SAID POLYMER COMPOSITION TO MANUFACTURE OPHTHALMIC LENS Essilor International (Compagnie Générale D'Optique) (FR) 2016-10-26 EP disclosed
US-7135589-B2 Monomers for composite resins with acrylates for unsaturated derivative blends with acids, esters for derivatives with low shrinkage BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-11-14 US disclosed
US-7094358-B2 Ultra-low shrinkage composite resins based on blended nematic liquid crystal monomers THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-08-22 US disclosed
EP-1373184-B1 ULTRA-LOW SHRINKAGE COMPOSITE RESINS BASED ON BLENDED NEMATIC LIQUID CRYSTAL MONOMERS UNIV TEXAS (US) 2005-12-07 EP disclosed
EP-1373184-A4 ULTRA-LOW SHRINKAGE COMPOSITE RESINS BASED ON BLENDED NEMATIC LIQUID CRYSTAL MONOMERS UNIV TEXAS (US) 2005-02-02 EP disclosed
US-20040206934-A1 Ultra-low shrinkage composite resins based on blended nematic liquid crystal secondary monomers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-10-21 US disclosed
EP-1373184-A2 ULTRA-LOW SHRINKAGE COMPOSITE RESINS BASED ON BLENDED NEMATIC LIQUID CRYSTAL MONOMERS THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-01-02 EP disclosed
US-20030125435-A1 Ultra-low shrinkage composite resins based on blended nematic liquid crystal monomers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
WO-2002070543-A2 ULTRA-LOW SHRINKAGE COMPOSITE RESINS BASED ON BLENDED NEMATIC LIQUID CRYSTAL MONOMERS UNIVERSITY OF TEXAS SYSTEM (US) 2002-09-12 WO disclosed