SCHEMBL12736767

SCHEMBL12736767

CCCc1ccc(-c2ccc(COC3CCC(c4ccc(CC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.40
MPL P40238 1/20 0.34
HCRTR2 O43614 3/20 0.33
NAAA Q02083 2/20 0.33
FASN P49327 1/20 0.32
RARB P10826 1/20 0.31
CHKA P35790 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL12736769 0.92 FFAR4 (0.41) FFAR4MPLNAAARARBSPHK1
SCHEMBL12736761 0.92 FFAR4 (0.38) FFAR4HCRTR2NAAAFASNCHKA
SCHEMBL12736770 0.91 FFAR4 (0.41) FFAR4RARBSPHK1
SCHEMBL12736764 0.91 FFAR4 (0.38) FFAR4MPLHCRTR2NAAAFASN
SCHEMBL12736780 0.89 NAAA (0.43) FFAR4MPLNAAA
SCHEMBL12736760 0.89 NAAA (0.34) FFAR4HCRTR2NAAAFASNKDM5A
SCHEMBL12736762 0.88 FFAR4 (0.39) FFAR4MPLNAAARARBCHKA
SCHEMBL10302600 0.87 HCRTR2 (0.36) HCRTR2NAAAKDM5AKDM4CKDM5B
SCHEMBL12823045 0.87 FFAR4 (0.35) FFAR4MPL
SCHEMBL12716673 0.85 FFAR4 (0.39) FFAR4MPLFASNRARBCHKA

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 FFAR4 546/4885MPL 4673/4885HCRTR2 730/4885

“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.