SCHEMBL17705293

SCHEMBL17705293

Cc1ccc(C(F)(F)Oc2ccc(C)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
ACHE P22303 2/20 0.36
PDE2A O00408 2/20 0.36
EPHX2 P34913 1/20 0.36
TSHR P16473 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
NFE2L2 Q16236 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17705297 0.86 PDE2A (0.33) SLC6A4HTR2AKCNH2ACHEPDE2A
SCHEMBL17705294 0.86 PDE2A (0.35) SLC6A4HTR2AKCNH2ACHEPDE2A
SCHEMBL900955 0.82 PDE2A (0.50) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL21511092 0.82 ACHE (0.44) SLC6A4ACHETSHRMRGPRX4NFE2L2
SCHEMBL17705292 0.81 TSHR (0.35) SLC6A4HTR2AKCNH2ACHETSHR
SCHEMBL17705289 0.81 ACHE (0.36) SLC6A4ACHEPDE2AEPHX2MRGPRX4
SCHEMBL17705290 0.81 KIF11 (0.38) SLC6A4ACHEPDE2AEPHX2MRGPRX4
Methane SCHEMBL24038417 0.81 PDE2A (0.49) ACHEPDE2AEPHX2MRGPRX4ALDH1A1
SCHEMBL25990642 0.79 ACHE (0.38) SLC6A4ACHEPDE2AEPHX2MRGPRX4
SCHEMBL13557183 0.79 ACHE (0.40) SLC6A4ACHEPDE2AEPHX2MRGPRX4

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 SLC6A4 3817/4885HTR2A 1778/4885KCNH2 1284/4885

“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.