SCHEMBL22872137

SCHEMBL22872137

CCCc1ccc(-c2ccc(C(F)(F)F)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.38
▸ GRIN2B Q13224 5/20 0.38
▸ GRIN1 Q05586 4/20 0.38
▸ HSD11B1 P28845 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL22872138 0.84 HSD11B1 (0.38) GRIN2BGRIN1HSD11B1RAB9AMAPT
SCHEMBL22872133 0.82 RARB (0.39) GRIN2BGRIN1HSD11B1RAB9AMAPT
SCHEMBL22872139 0.81 RARB (0.40) GRIN2BGRIN1HSD11B1MAOB
SCHEMBL13742991 0.78 ENPP1 (0.40) HSD17B1HSD17B2
SCHEMBL28730706 0.77 TNF (0.38) GRIN2BGRIN1KDM4EKMT2AHSD17B1
SCHEMBL22872105 0.77 ENPP1 (0.39) GRIN2BGRIN1HSD17B1HSD17B2
SCHEMBL10332040 0.77 MAPT (0.44) PTPN1HSD11B1RAB9AMAPTNPC1
SCHEMBL11014336 0.75 PTPN1 (0.39) PTPN1RAB9AMAPTNPC1GFER
SCHEMBL14703079 0.74 RARB (0.53) PTPN1HSD11B1RAB9AMAPTNPC1
SCHEMBL18954357 0.74 IKBKB (0.44) GRIN2BGRIN1HSD17B1HSD17B2

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
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 — — EP 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
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-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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