SCHEMBL12740331

SCHEMBL12740331

CCCCCc1ccc(-c2ccc(C3CCC(OCc4ccc(OCC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
NAAA Q02083 2/20 0.37
FFAR4 Q5NUL3 3/20 0.36
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
DRD4 P21917 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
TMEM97 Q5BJF2 2/20 0.33
HTR6 P50406 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
KDM1A O60341 2/20 0.32
S1PR1 P21453 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL12740330 0.93 NAAA (0.39) NAAAFFAR4DRD4SIGMAR1TMEM97
SCHEMBL12740328 0.93 NAAA (0.45) RARBNAAAFFAR4RARARARG
SCHEMBL14766989 0.91 NAAA (0.37) RARBNAAAFFAR4RARADRD4
SCHEMBL12740329 0.89 NAAA (0.40) NAAAFFAR4DRD4SIGMAR1TMEM97
SCHEMBL14766736 0.89 S1PR1 (0.35) RARBNAAAFFAR4KDM1AS1PR1
SCHEMBL12733919 0.89 SPHK1 (0.41) RARBFFAR4SPHK1KDM1A
SCHEMBL14766979 0.89 FFAR1 (0.41) NAAAFFAR4DRD4SIGMAR1TMEM97
SCHEMBL12740335 0.89 NAAA (0.39) NAAAFFAR4DRD4SIGMAR1TMEM97
SCHEMBL12740336 0.89 SIGMAR1 (0.43) NAAAFFAR4DRD4SIGMAR1TMEM97
SCHEMBL12733862 0.88 RARB (0.39) RARBFFAR4SPHK1

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 2 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-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 RARB 2705/4885NAAA 3997/4885FFAR4 546/4885

“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.