SCHEMBL12740329

SCHEMBL12740329

CCOc1ccc(COC2CCC(c3ccc(-c4ccc(CC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.40
DRD4 P21917 6/20 0.36
SIGMAR1 Q99720 6/20 0.36
HTR6 P50406 1/20 0.35
TMEM97 Q5BJF2 3/20 0.35
KDM1A O60341 2/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
FPR2 P25090 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC5A2 P31639 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
SCHEMBL14766979 0.93 FFAR1 (0.41) NAAADRD4SIGMAR1HTR6TMEM97
SCHEMBL12740335 0.93 NAAA (0.39) NAAADRD4SIGMAR1HTR6TMEM97
SCHEMBL12740336 0.93 SIGMAR1 (0.43) NAAADRD4SIGMAR1HTR6TMEM97
SCHEMBL12740330 0.92 NAAA (0.39) NAAADRD4SIGMAR1HTR6TMEM97
SCHEMBL12740327 0.92 NAAA (0.48) NAAADRD4SIGMAR1TMEM97FPR2
SCHEMBL12718834 0.91 NAAA (0.42) NAAADRD4SIGMAR1TMEM97FPR2
SCHEMBL14766989 0.89 NAAA (0.37) NAAADRD4SIGMAR1ALOX5APFEN1
SCHEMBL12740332 0.89 NAAA (0.37) NAAADRD4SIGMAR1HTR6TMEM97
SCHEMBL12740331 0.89 RARB (0.37) NAAADRD4SIGMAR1HTR6TMEM97
SCHEMBL14766550 0.89 PPARD (0.41) NAAAHTR6FFAR4FFAR1PPARD

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
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

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 3997/4885DRD4 97/4885SIGMAR1 1690/4885

“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.