SCHEMBL1814767

SCHEMBL1814767

Fc1cc(Br)ccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.49
FEN1 P39748 2/20 0.49
DGAT1 O75907 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
S100A4 P26447 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.36
KDM1A O60341 2/20 0.36
KDM1B Q8NB78 1/20 0.36
CYP2A6 P11509 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AR P10275 1/20 0.33
AKR1C3 P42330 1/20 0.33
PTPRC P08575 1/20 0.32
BCL2 P10415 1/20 0.31

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
SCHEMBL29448266 1.00 ALOX5AP (0.49) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL15341611 0.96 FEN1 (0.54) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL15433177 0.89 ALOX5AP (0.44) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL14945929 0.83 ALOX5AP (0.46) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL30665731 0.83 ALOX5AP (0.45) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL12198995 0.83 ALOX5AP (0.45) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL14520998 0.81 DGAT1 (0.46) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL31310573 0.81 DGAT1 (0.46) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL9179259 0.81 FEN1 (0.55) ALOX5APFEN1DGAT1MMP1MMP2
SCHEMBL22440624 0.80 ALOX5AP (0.44) ALOX5APFEN1DGAT1MMP1MMP2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948656-B Application of ionic liquid in preparation of fluoroalkyl cyclohexyl biphenyl liquid crystal compounds 河北美星化工有限公司 2024-07-09 CN disclosed
EP-4015598-B1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2024-05-22 EP disclosed
CN-116948656-A Application of ionic liquid in preparation of fluoroalkyl cyclohexyl biphenyl liquid crystal compounds 河北美星化工有限公司 2023-10-27 CN disclosed
EP-3712230-B1 LIQUID CRYSTAL COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-17 EP disclosed
EP-3712230-B1 LIQUID CRYSTAL COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-17 EP disclosed
US-11447701-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
EP-4015598-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2022-06-22 EP disclosed
EP-4015598-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS Merck Patent GmbH (DE) 2022-06-22 EP disclosed
US-11208595-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2021-12-28 US disclosed
US-20210207029-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS MERCK PATENT GMBH (DE) 2021-07-08 US disclosed
US-7951432-B2 Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
EP-2284148-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-16 EP disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-7361388-B2 Liquid-crystalline compounds having a tetrahydropyran ring MERCK PATENT GMBH (DE) 2008-04-22 US disclosed
US-20060289829-A1 Liquid-crystalline compounds having a tetrahydropyran ring MERCK PATENT GMBH (DE) 2006-12-28 US disclosed
WO-2004106460-A1 LIQUID-CRYSTALLINE COMPOUNDS HAVING A TETRAHYDROPYRAN RING MERCK PATENT GMBH (DE) 2004-12-09 WO disclosed
US-20020047103-A1 Liquid crystalline compounds having a silane diyl group, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO PETROCHEMICAL CORPORATION (JP) 2002-04-25 US disclosed
EP-1160251-A2 Liquid crystalline compounds having a silane diyl group, liquid crystal compositions comprising the same and liquid crystal display devices CHISSO CORPORATION (JP) 2001-12-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11208595-B2 Liquid-crystalline compounds CHRM1, C1S, CHRM2 ALOX5AP 3608/4885FEN1 3955/4885DGAT1 3864/4885
US-11447701-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds NEFM, FES, SBDS ALOX5AP 4632/4885FEN1 3092/4885DGAT1 4565/4885
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ZYX, PYM1, CPNE4 ALOX5AP 306/4885FEN1 3316/4885DGAT1 3729/4885
US-20210207029-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS NEFM, FES, SBDS ALOX5AP 4632/4885FEN1 3092/4885DGAT1 4565/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.