SCHEMBL22872129

SCHEMBL22872129

CC1CCC(c2ccc(-c3ccc(C(F)(F)F)s3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.44
▸ QPCT Q16769 4/20 0.37
▸ HTR2C P28335 4/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HSD17B2 P37059 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ GRIN1 Q05586 2/20 0.30
▸ GRIN2B Q13224 2/20 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
SCHEMBL23552205 0.85 S1PR1 (0.38) ESR2QPCTHTR2C
SCHEMBL23346032 0.85 CYP2C9 (0.47) ESR2QPCTRAB9ADRD2SPHK1
SCHEMBL23346027 0.81 ESR2 (0.49) ESR2NPC1RAB9A
SCHEMBL22872136 0.80 QPCT (0.42) ESR2QPCTHTR2CDRD2PDE3B
SCHEMBL22872128 0.79 ESR2 (0.34) ESR2QPCTDRD2
SCHEMBL23542784 0.76 QPCT (0.35) QPCTHTR2CNPC1RAB9AHSD17B2
SCHEMBL22872140 0.75 QPCT (0.43) ESR2QPCTNPC1RAB9AHSD17B2
SCHEMBL22872108 0.75 PDE3B (0.31) PDE3BPDE3A
SCHEMBL14207647 0.75 ESR2 (0.45) ESR2NPC1RAB9A
SCHEMBL11280521 0.74 HTR2C (0.56) ESR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 — — WO disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 — — EP disclosed
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 — — EP disclosed
WO-2023198669-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
WO-2023198673-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
WO-2023198671-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 — — WO disclosed
EP-3763802-B1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-09-06 — — EP disclosed
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-11168255-B2 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-11-09 — — 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
US-20210139779-A1 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-05-13 — — US disclosed
EP-3763802-A1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2021-01-13 — — EP disclosed
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