SCHEMBL21392009

SCHEMBL21392009

FC(F)(F)CCCCc1ccc(C2=CCC3(CC2)OCCO3)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
MGAT2 Q10469 1/20 0.32
SUV39H2 Q9H5I1 2/20 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
SCHEMBL14220461 0.82 RARB (0.37) IKBKETBK1SUV39H2
SCHEMBL8453606 0.79 TBK1 (0.36) IKBKETBK1SUV39H2
SCHEMBL14403246 0.78 TBK1 (0.43) IKBKETBK1SUV39H2
SCHEMBL19721917 0.76 IKBKE (0.32) IKBKETBK1SUV39H2
SCHEMBL22816649 0.76 IKBKE (0.38) IKBKETBK1SUV39H2
SCHEMBL17471333 0.76 TBK1 (0.40) IKBKETBK1SUV39H2
SCHEMBL10131970 0.75 IKBKE (0.36) IKBKETBK1SUV39H2
SCHEMBL745424 0.73 TBK1 (0.39) IKBKETBK1SUV39H2
SCHEMBL21171825 0.72 IKBKE (0.38) IKBKETBK1SUV39H2
SCHEMBL612793 0.72 TBK1 (0.36) IKBKETBK1SUV39H2

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-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium JNC CORPORATION (JP) 2020-09-29 US disclosed
US-20190292462-A1 LIQUID CRYSTAL DISPLAY DEVICE INCLUDING LIQUID CRYSTAL MEDIUM CONTAINING LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM JNC CORPORATION (JP) 2019-09-26 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 (2 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-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium ACP1, MAPK1, PLD1 IKBKE 4596/4885TBK1 3861/4885MGAT2 1175/4885
US-20190292462-A1 LIQUID CRYSTAL DISPLAY DEVICE INCLUDING LIQUID CRYSTAL MEDIUM CONTAINING LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM ACP1, MAPK1, PLD1 IKBKE 4596/4885TBK1 3861/4885MGAT2 1175/4885

“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.