SCHEMBL17075778

SCHEMBL17075778

CCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc(-c4ccc5c(F)c(F)c(F)cc5c4)c(F)c3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GSK3B P49841 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
GRM2 Q14416 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
SCHEMBL20202931 0.94 ALOX5AP (0.38) ALOX5APFEN1AKR1C3AKR1C2GRM2
SCHEMBL20202941 0.94 GSK3B (0.34) GSK3B
SCHEMBL17083207 0.91 ALOX5AP (0.34) ALOX5APFEN1GRM2
SCHEMBL20202949 0.89 GRM2 (0.33) ALOX5APFEN1GRM2
SCHEMBL20202933 0.88 ALOX5AP (0.36) ALOX5APFEN1AKR1C3AKR1C2GRM2
SCHEMBL20202935 0.88 GSK3B (0.33) GSK3B
SCHEMBL20202946 0.88 ALOX5AP (0.39) ALOX5APFEN1AKR1C3AKR1C2GRM2
SCHEMBL20202928 0.87 GSK3B (0.33) GSK3B
SCHEMBL20202932 0.87 RARB (0.37) ALOX5APFEN1AKR1C3AKR1C2GRM2
SCHEMBL20202945 0.87 RARB (0.37) GSK3B

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-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 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-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 ALOX5AP 3554/4885FEN1 564/4885GSK3B 1859/4885

“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.