SCHEMBL22872140

SCHEMBL22872140

Fc1cc(-c2ccc(C3CC3)cc2)ccc1-c1ccc(C(F)(F)F)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 6/20 0.43
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ APP P05067 2/20 0.34
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ DRD5 P21918 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ AGTR1 P30556 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32

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
SCHEMBL22872142 0.95 CYP3A4 (0.42) QPCTPDE3BPDE3ACYP3A4CYP2C9
SCHEMBL23346099 0.85 QPCT (0.43) QPCTPDE3BPDE3ACYP3A4CYP2C9
SCHEMBL23542784 0.85 QPCT (0.35) QPCTPDE3BPDE3ACYP3A4CYP2C9
SCHEMBL22872119 0.84 QPCT (0.41) QPCTPDE3BPDE3ACTSKCTSC
SCHEMBL22872136 0.83 QPCT (0.42) QPCTPDE3BPDE3ACYP3A4CYP2C9
SCHEMBL23552119 0.83 QPCT (0.43) QPCTPDE3BPDE3ACYP3A4CYP2C9
SCHEMBL23346100 0.82 QPCT (0.41) QPCTPDE3BPDE3ACYP3A4CYP2C9
SCHEMBL23346097 0.82 QPCT (0.41) QPCTPDE3BPDE3APDK2ESR1
SCHEMBL27027379 0.81 ESR1 (0.38) QPCTCYP3A4CYP2C9APPCYP2D6
SCHEMBL22872145 0.81 QPCT (0.37) QPCTPDE3BPDE3ACTSKCTSC

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 7 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-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
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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