SCHEMBL20925191

SCHEMBL20925191

C=C(C)C(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C(C)C)cc3)cc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL19882268 1.00 TDP1 (0.50) TDP1POLBAPEX1HTTMAPT
SCHEMBL803172 0.94 TDP1 (0.56) TDP1POLBAPEX1HTTMAPT
SCHEMBL19978522 0.92 POLB (0.59) TDP1POLBAPEX1HTTMAPT
SCHEMBL17070343 0.91 TDP1 (0.53) TDP1POLBAPEX1HTTMAPT
SCHEMBL12592442 0.91 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL19799417 0.91 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL31520182 0.91 POLB (0.61) TDP1POLBAPEX1HTTMAPT
SCHEMBL23137082 0.90 TDP1 (0.52) TDP1POLBAPEX1HTTMAPT
SCHEMBL17488397 0.90 TDP1 (0.52) TDP1POLBAPEX1HTTMAPT
SCHEMBL21091143 0.90 POLB (0.52) TDP1POLBAPEX1HTTMAPT

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
WO-2024133363-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2023094404-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed
WO-2023066827-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-04-27 WO disclosed
WO-2022002997-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-06 WO disclosed
EP-3257916-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2021-11-17 EP disclosed
US-20210348056-A1 Polymerisable Compounds and the Use thereof in Liquid-Crystal Displays MERCK PATENT GMBH (DE) 2021-11-11 US disclosed
EP-3248061-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3067406-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-04-24 EP disclosed