SCHEMBL17705296

SCHEMBL17705296

Cc1cc(F)c(OC(F)(F)c2ccc(C)c(F)c2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOTUM Q6P988 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL17705292 0.84 TSHR (0.35)
SCHEMBL17705297 0.82 PDE2A (0.33) HDAC1HDAC6
SCHEMBL17705291 0.81 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL19258266 0.77 RAPGEF4 (0.32)
SCHEMBL18750573 0.73 CA1 (0.33)
SCHEMBL12829125 0.73 GPR3 (0.36) MAPT
SCHEMBL17147820 0.73 CYP3A4 (0.43)
SCHEMBL17705295 0.72 KIF11 (0.37)
SCHEMBL1859691 0.72 PDE2A (0.50) NOTUMTP53MAPT
SCHEMBL10052628 0.72 ACHE (0.36) MAPT

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 HDAC1 3111/4885HDAC6 3547/4885NOTUM 3756/4885

“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.