SCHEMBL12829124

SCHEMBL12829124

Cc1cc(F)c(C(F)(F)Oc2ccc(C)c(F)c2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE2A O00408 1/20 0.33
GRIN2B Q13224 1/20 0.31
AR P10275 1/20 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
SCHEMBL21526867 0.87 MRGPRX4 (0.39) GPR3MRGPRX4HDAC1HDAC6PDE2A
SCHEMBL15318752 0.84
SCHEMBL14328302 0.84 RAPGEF4 (0.34)
SCHEMBL10259575 0.84
SCHEMBL12829122 0.84 GPR3 (0.36) GPR3FFAR4GRIN2BAR
SCHEMBL12333649 0.84 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL15706217 0.83 FFAR4 (0.32) FFAR4
SCHEMBL12829129 0.81 GPR3 (0.38) GPR3MRGPRX4HDAC1HDAC6PDE2A
SCHEMBL14328236 0.80 FFAR4 (0.31) GPR3FFAR4PDE2A
SCHEMBL12829125 0.80 GPR3 (0.36) GPR3MRGPRX4FFAR4PDE2AAR

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
US-9822305-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-21 US disclosed
US-9809749-B2 Mesogenic compound, liquid-crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2017-11-07 US disclosed
EP-3214154-A1 LIQUID-CRYSTAL MEDIA AND LIGHT MODULATION ELEMENT Merck Patent GmbH (DE) 2017-09-06 EP disclosed
US-9593279-B2 Liquid-crystalline medium and high-frequency components comprising same MERCK PATENT GMBH (DE) 2017-03-14 US disclosed
US-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-04-28 US disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
EP-1739151-B1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
EP-1816180-B1 Mesogenic compounds, liquid crystal medium, and liquid crystal display MERCK PATENT GMBH (DE) 2008-10-29 EP disclosed
EP-1690917-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-10-08 EP disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1690915-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-03-26 EP disclosed
EP-1690916-B1 Mesogenic compounds, liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-03-12 EP disclosed
EP-1816180-A1 Mesogenic compounds, liquid crystal medium, and liquid crystal display Merck Patent GmbH (DE) 2007-08-08 EP disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 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 (2 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-20160115388-A1 MESOGENIC COMPOUND, LIQUID-CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY BMP2, IK, EML4 GPR3 3750/4885MRGPRX4 1445/4885FFAR4 3561/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK GPR3 1998/4885MRGPRX4 844/4885FFAR4 3947/4885

“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.