SCHEMBL17705295

SCHEMBL17705295

Cc1ccc(C(F)(F)Oc2c(F)cc(C)cc2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
GPR3 P46089 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL17705290 0.84 KIF11 (0.38) KIF11CYP11B2CYP11B1GPR3SMN1; SMN2
SCHEMBL12829126 0.82 GPR3 (0.38) KIF11CYP11B2CYP11B1GPR3SMN1; SMN2
SCHEMBL17705292 0.80 TSHR (0.35) KIF11ACHENFE2L2
SCHEMBL18265626 0.79 KIF11 (0.35) KIF11CYP11B2CYP11B1GPR3SMN1; SMN2
SCHEMBL12829127 0.79 KIF11 (0.35) KIF11CYP11B2CYP11B1GPR3SMN1; SMN2
SCHEMBL12829129 0.77 GPR3 (0.38) KIF11CYP11B2CYP11B1GPR3
SCHEMBL6470423 0.77 KIF11 (0.42) KIF11CYP11B2CYP11B1GPR3SMN1; SMN2
SCHEMBL15773593 0.77 CYP11B1 (0.35) KIF11CYP11B2CYP11B1GPR3
SCHEMBL14749514 0.75 FFAR4 (0.34) KIF11FFAR4
SCHEMBL15318779 0.74 KIF11 (0.33) KIF11CYP11B2CYP11B1GPR3

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 KIF11 119/4885CYP11B2 2330/4885CYP11B1 2661/4885

“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.