SCHEMBL12739852

SCHEMBL12739852

CCCc1ccc(-c2ccc(C3CCC(CCc4ccc(OCC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.39
KDM1A O60341 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
FPR2 P25090 2/20 0.32
NAAA Q02083 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
S1PR1 P21453 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL12739854 0.94 FFAR4 (0.38) FFAR4KDM1AS1PR1
SCHEMBL12739850 0.93 FFAR4 (0.38) FFAR4KDM1AFPR2NAAAPTGDR2
SCHEMBL12739993 0.93 FFAR4 (0.38) FFAR4KDM1AFPR2NAAAPTGDR2
SCHEMBL14766847 0.92 FFAR4 (0.38) FFAR4KDM1AFPR2NAAAPPARD
SCHEMBL12739863 0.92 FFAR4 (0.38) FFAR4KDM1AFPR2NAAAPTGDR2
SCHEMBL12739862 0.92 FFAR4 (0.39) FFAR4KDM1AFPR2NAAAPTGDR2
SCHEMBL14766500 0.91 FFAR4 (0.35) FFAR4S1PR1HCRTR1HCRTR2PPARD
SCHEMBL12718441 0.91 CALM1 (0.37) FFAR4MAOBFPR2PPARDPPARA
SCHEMBL12740001 0.91 FFAR4 (0.36) FFAR4KDM1AFPR2NAAAPTGDR2
SCHEMBL12739858 0.90 FFAR4 (0.37) FFAR4KDM1AFPR2NAAAPTGDR2

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-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
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 546/4885KDM1A 937/4885GABRA1 3981/4885

“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.