SCHEMBL12736760

SCHEMBL12736760

CCc1ccc(C2CCC(OCc3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 7/20 0.34
FFAR4 Q5NUL3 3/20 0.34
AOC3 Q16853 2/20 0.33
FASN P49327 1/20 0.33
HCRTR2 O43614 3/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31
HTR1A P08908 1/20 0.31
FFAR1 O14842 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
SCHEMBL12736807 0.92 NAAA (0.35) NAAAFFAR4AOC3FASNHCRTR2
SCHEMBL12736786 0.89 NAAA (0.45) NAAAFFAR4AOC3
SCHEMBL12736767 0.89 FFAR4 (0.40) NAAAFFAR4FASNHCRTR2KDM5A
SCHEMBL10302596 0.85 HCRTR2 (0.35) NAAAAOC3HCRTR2KDM5AKDM4C
SCHEMBL12736787 0.85 NAAA (0.38) NAAAFFAR4AOC3
SCHEMBL12736761 0.85 FFAR4 (0.38) NAAAFFAR4FASNHCRTR2
SCHEMBL12736788 0.85 NAAA (0.38) NAAAFFAR4AOC3
SCHEMBL12716127 0.84 FASN (0.35) FFAR4FASNCYP3A4CYP2C9APP
SCHEMBL12736790 0.84 NAAA (0.37) NAAAFFAR4
SCHEMBL12736793 0.84 NAAA (0.37) NAAAFFAR4

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 NAAA 3997/4885FFAR4 546/4885AOC3 1612/4885

“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.