SCHEMBL12829129

SCHEMBL12829129

Cc1ccc(C(F)(F)Oc2ccc(C)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
KIF11 P52732 2/20 0.34
PDE2A O00408 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
AR P10275 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
SCHEMBL12829127 0.87 KIF11 (0.35) GPR3KIF11CYP11B1CYP11B2
SCHEMBL18265626 0.87 KIF11 (0.35) GPR3KIF11CYP11B1CYP11B2
SCHEMBL12829126 0.87 GPR3 (0.38) GPR3KIF11CYP11B1CYP11B2AR
SCHEMBL15773593 0.84 CYP11B1 (0.35) GPR3KIF11CYP11B1CYP11B2AR
SCHEMBL18887806 0.82 PDE2A (0.32) PDE2ACYP11B1CYP11B2
SCHEMBL15318779 0.82 KIF11 (0.33) GPR3KIF11CYP11B1CYP11B2
SCHEMBL14240857 0.81 KIF11 (0.33) GPR3KIF11
SCHEMBL6470423 0.81 KIF11 (0.42) GPR3KIF11CYP11B1CYP11B2AR
SCHEMBL91865 0.81 GPR3 (0.37) GPR3
SCHEMBL12829125 0.81 GPR3 (0.36) GPR3KIF11PDE2AMRGPRX4AR

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 12 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
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

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 3750/4885KIF11 119/4885PDE2A 2495/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK GPR3 1998/4885KIF11 330/4885PDE2A 1930/4885

“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.