SCHEMBL17356644

SCHEMBL17356644

CCCCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
OPRL1 P41146 12/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 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
SCHEMBL17552979 0.96 OPRL1 (0.34) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL17356592 0.96 GAA (0.37) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL17356666 0.95 GAA (0.38) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL17356640 0.92 OPRL1 (0.35) MAPTOPRL1MEN1KMT2ADGAT1
SCHEMBL17487970 0.91 GAA (0.31) GAAMAPT
SCHEMBL17356553 0.88 OPRL1 (0.37) MAPTOPRL1MEN1KMT2ADGAT1
SCHEMBL17552980 0.87 DGAT1 (0.33) OPRL1DGAT1
SCHEMBL17356671 0.86 GAA (0.34) GAAMAPTOPRL1DGAT1
SCHEMBL15256133 0.85 HDAC3 (0.39) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL17487980 0.85 RARB (0.39) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822304-B2 Liquid crystal composition and liquid crystal display element containing the same DIC CORPORATION (JP) 2017-11-21 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20160122646-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-05-05 US disclosed
US-20160060525-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME DIC CORPORATION (JP) 2016-03-03 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 GAA 4503/4885MAPT 1138/4885OPRL1 207/4885

“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.