SCHEMBL17487559

SCHEMBL17487559

CCCC1CCC(COc2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.40
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RIPK1 Q13546 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
FFAR4 Q5NUL3 4/20 0.34
FEN1 P39748 2/20 0.33
ALOX5AP P20292 1/20 0.33
SLC6A9 P48067 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
SCHEMBL17487889 0.94 BRD4 (0.38) BRD4HTR2AHTR2CHTR2BTLR9
SCHEMBL12113787 0.89 FFAR4 (0.41) BRD4TLR9TLR8TLR7FFAR4
SCHEMBL12113788 0.86 FFAR4 (0.46) BRD4TLR9TLR8TLR7FFAR4
SCHEMBL1310804 0.86 FFAR4 (0.39) BRD4TLR9TLR8TLR7FFAR4
SCHEMBL9405874 0.86 HTR2A (0.38) BRD4HTR2AHTR2CHTR2BRIPK1
SCHEMBL9405871 0.86 HTR2A (0.38) BRD4HTR2AHTR2CHTR2BRIPK1
SCHEMBL1311479 0.85 RIPK1 (0.38) BRD4HTR2AHTR2CHTR2BRIPK1
SCHEMBL17365757 0.84 APP (0.33) BRD4TLR9TLR8TLR7FFAR4
SCHEMBL1311879 0.84 FFAR4 (0.43) BRD4TLR9TLR8TLR7FFAR4
SCHEMBL3267950 0.84 FFAR4 (0.43) BRD4TLR9TLR8TLR7FFAR4

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 BRD4 3659/4885HTR2A 2278/4885HTR2C 882/4885

“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.