SCHEMBL17705289

SCHEMBL17705289

Cc1ccc(OC(F)(F)c2c(F)cc(C)cc2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
PDE2A O00408 1/20 0.36
EPHX2 P34913 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR1A P08908 1/20 0.33
SYK P43405 1/20 0.33
GPR3 P46089 1/20 0.33
LMNA P02545 2/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL22924983 0.86 PDE2A (0.33) PDE2AEPHX2
SCHEMBL900955 0.82 PDE2A (0.50) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL12829122 0.81 GPR3 (0.36) ACHEALDH1A1CYP3A4SLC6A4GPR3
SCHEMBL17705293 0.81 SLC6A4 (0.37) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL17705290 0.81 KIF11 (0.38) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
Methane SCHEMBL24038417 0.81 PDE2A (0.49) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL25990642 0.79 ACHE (0.38) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL17705294 0.79 PDE2A (0.35) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL13557183 0.79 ACHE (0.40) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL19288298 0.77 MRGPRX4 (0.36) ACHEPDE2AEPHX2MRGPRX4ALDH1A1

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 4 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

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

For each of this compound's patents that has machine-readable text (1 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 ACHE 1728/4885PDE2A 2495/4885EPHX2 2284/4885

“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.