SCHEMBL19984731

SCHEMBL19984731

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(C)cc3)cc2CC)ccc1OCCC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
SRD5A2 P31213 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
LTB4R Q15722 3/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
SYK P43405 1/20 0.31
ESR1 P03372 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
SCHEMBL21098591 0.95 L3MBTL1 (0.36) RARARARBRARGL3MBTL1MAPK1
SCHEMBL19697417 0.93 SLC6A9 (0.37) RARARARBRARGSRD5A2LTB4R
SCHEMBL21115587 0.93 PPARD (0.33) RARARARBRARGL3MBTL1MAPK1
SCHEMBL17070413 0.90 RARA (0.34) RARARARBRARGSRD5A2GABRA1
SCHEMBL17063576 0.89 CNR2 (0.36) RARARARBRARGL3MBTL1MAPK1
SCHEMBL18645610 0.89 CNR2 (0.36) RARARARBRARGL3MBTL1MAPK1
SCHEMBL21984947 0.88 PTPN11 (0.36) RARARARBRARGL3MBTL1MAPK1
SCHEMBL21984874 0.88 LTB4R (0.38) RARARARBRARGSRD5A2GABRA1
SCHEMBL18645804 0.88 CNR2 (0.36) RARARARBRARGL3MBTL1MAPK1
SCHEMBL21115777 0.88 L3MBTL1 (0.34) RARARARBRARGL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-11214736-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-01-04 US disclosed
EP-3512921-B1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-07-22 EP disclosed
US-20190185748-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-06-20 US disclosed
US-20180171231-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-21 US disclosed
WO-2018050608-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed