SCHEMBL18099489

SCHEMBL18099489

COc1cc(F)c(C(F)(F)Oc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
PTGS2 P35354 1/20 0.41
APP P05067 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
CD274 Q9NZQ7 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
AMY1A P0DUB6 2/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
RPS6KA3 P51812 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP1A1 P04798 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
SCHEMBL12625738 0.90 CYP11B1 (0.41) ERN1AKR1C3AKR1C2PTGS2APP
SCHEMBL10021838 0.89 ALOX5AP (0.38) ERN1AKR1C3AKR1C2PTGS2APP
SCHEMBL12357204 0.88 GPR3 (0.40) ERN1AKR1C3AKR1C2PTGS2APP
SCHEMBL17407700 0.87 ALOX5AP (0.39) ERN1ALOX5APFEN1FFAR1FFAR4
SCHEMBL9913188 0.86 ALOX5AP (0.38) ERN1ALOX5APFEN1FFAR1FFAR4
SCHEMBL19557566 0.86 ALOX5AP (0.38) ERN1ALOX5APFEN1CD274FFAR1
SCHEMBL20380717 0.85 ALOX5AP (0.36) ERN1AKR1C3AKR1C2ALOX5APFEN1
SCHEMBL14767335 0.85 ALOX5AP (0.39) ERN1PTGS2APPCYP2C19ALOX5AP
SCHEMBL15374870 0.85 ALOX5AP (0.39) ERN1PTGS2APPCYP2C19ALOX5AP
SCHEMBL12624690 0.85 ALOX5AP (0.39) ERN1PTGS2APPCYP2C19ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657230-B2 Alkenyl dioxane compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 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-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, HAX1 ERN1 970/4885AKR1C3 611/4885AKR1C2 1512/4885

“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.