SCHEMBL21115749

SCHEMBL21115749

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2C)cc(CCCOC(=O)C(=C)C)c1OCCCO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 4/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
RARA P10276 2/20 0.34
CYP2C9 P11712 1/20 0.33
CHEK1 O14757 1/20 0.32
TSHR P16473 2/20 0.32
SLC2A1 P11166 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL21115702 0.97 CA1 (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL21115695 0.97 POLB (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL21096713 0.92 CA1 (0.36) CA1CA2POLBAPEX1HTT
SCHEMBL21097767 0.91 CA1 (0.40) CA1CA2POLBAPEX1HTT
SCHEMBL18645799 0.90 POLB (0.32) CA1CA2POLBAPEX1HTT
SCHEMBL21097765 0.89 CA1 (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL21097763 0.89 POLB (0.35) CA1CA2POLBAPEX1HTT
SCHEMBL21116077 0.87 IDO1 (0.31) CA1CA2POLBAPEX1HTT
SCHEMBL21097770 0.84 RARB (0.38) CA1CA2POLBAPEX1HTT
SCHEMBL17070524 0.84 RARB (0.36) POLBAPEX1HTTTDP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249570-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2023-09-27 EP disclosed
EP-3877485-B1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-3870671-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-08-09 EP disclosed
EP-3755764-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2023-05-10 EP disclosed
EP-3985085-A2 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-04-20 EP disclosed
EP-3944011-A1 LIQUID-CRYSTAL DISPLAY Merck Patent GmbH (DE) 2022-01-26 EP disclosed
EP-3926023-A1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2021-12-22 EP disclosed
EP-3892706-A2 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2021-10-13 EP disclosed
EP-3666853-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-06-16 EP disclosed
EP-3604481-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
EP-3816264-A1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS Merck Patent GmbH (DE) 2021-05-05 EP disclosed
EP-3789470-A1 LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS Merck Patent GmbH (DE) 2021-03-10 EP disclosed
EP-3502209-B1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
EP-3502210-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed
EP-3604481-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-02-05 EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 EP disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed