SCHEMBL22872142

SCHEMBL22872142

Fc1cc(-c2ccc(C3CCCC3)cc2)ccc1-c1ccc(C(F)(F)F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ QPCT Q16769 6/20 0.41
▸ APP P05067 2/20 0.40
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ P2RY14 Q15391 3/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 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
SCHEMBL22872140 0.95 QPCT (0.43) CYP3A4CYP2C9QPCTAPPPDE3B
SCHEMBL23552119 0.88 QPCT (0.43) CYP3A4CYP2C9QPCTAPPPDE3B
SCHEMBL24301025 0.84 CYP3A4 (0.43) CYP3A4CYP2C9QPCTAPPPDK2
SCHEMBL24300709 0.83 CYP3A4 (0.42) CYP3A4CYP2C9QPCTAPPPDK2
SCHEMBL24301019 0.83 CYP3A4 (0.42) CYP3A4CYP2C9QPCTAPPPDK2
SCHEMBL24301013 0.83 CYP3A4 (0.42) CYP3A4CYP2C9QPCTAPPPDK2
SCHEMBL23346100 0.82 QPCT (0.41) CYP3A4CYP2C9QPCTAPPPDE3B
SCHEMBL27027383 0.82 CYP3A4 (0.44) CYP3A4CYP2C9APPS1PR1HSP90AA1
SCHEMBL24300716 0.82 CYP3A4 (0.40) CYP3A4CYP2C9QPCTAPPS1PR1
SCHEMBL22872119 0.81 QPCT (0.41) QPCTPDE3BPDE3AP2RY14TMEM97

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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