SCHEMBL21254294

SCHEMBL21254294

C=C(C)C(=O)OCCOc1cc(OCCOC(O)C(=C)C)cc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ THRB P10828 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
SCHEMBL16559843 0.92 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL27423567 0.90 POLB (0.38) POLBAPEX1HTTTDP1PTGS2
SCHEMBL21254293 0.90 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22360394 0.90 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL21087449 0.89 POLB (0.35) POLBAPEX1HTTTDP1RARA
SCHEMBL18468447 0.88 POLB (0.38) POLBAPEX1HTTTDP1PTGS2
SCHEMBL19159130 0.88 POLB (0.32) POLBAPEX1HTTTDP1RARA
SCHEMBL16559855 0.88 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL16559858 0.88 POLB (0.43) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22845982 0.87 TDP1 (0.37) POLBAPEX1HTTTDP1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230007940-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCKP PATENT GMBH (DE) 2023-01-12 — — US disclosed
EP-4001378-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-05-25 — — EP disclosed
EP-3521401-B1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA MERCK PATENT GMBH (DE) 2021-04-21 — — EP disclosed
EP-3730591-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-10-28 — — EP disclosed
EP-3246374-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-08-14 — — EP disclosed
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