SCHEMBL23542789

SCHEMBL23542789

CC1CC1c1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)s3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.36
▸ QPCT Q16769 6/20 0.34
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ MAOA P21397 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
SCHEMBL22872119 0.86 QPCT (0.41) KDM1AQPCTCTSKCTSCPDE3B
SCHEMBL23542784 0.83 QPCT (0.35) KDM1AQPCTCTSKCTSCPDE3B
SCHEMBL22872114 0.80 CYP11B1 (0.37) QPCTPDE3BPDE3AHSD17B1HSD17B2
SCHEMBL22872133 0.75 RARB (0.39) HSD17B1HSD17B2
SCHEMBL22872128 0.73 ESR2 (0.34) QPCT
SCHEMBL23346047 0.69 PDK2 (0.34) QPCT
SCHEMBL22872140 0.69 QPCT (0.43) KDM1AQPCTCTSKCTSCPDE3B
SCHEMBL22872126 0.69 ESR1 (0.33) QPCTPDE3BPDE3A
SCHEMBL23346029 0.68 CYP2C9 (0.39) QPCT
SCHEMBL22872142 0.68 CYP3A4 (0.42) KDM1AQPCTCTSKCTSCPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015599-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2022-06-22 — — EP disclosed
US-11359142-B2 Liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2022-06-14 — — US disclosed
US-20210189241-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2021-06-24 — — US disclosed
EP-3839009-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2021-06-23 — — EP disclosed
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