SCHEMBL12740337

SCHEMBL12740337

CCCCOc1ccc(COC2CCC(c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
TMEM97 Q5BJF2 4/20 0.40
DRD4 P21917 6/20 0.38
NAAA Q02083 2/20 0.37
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
HTR6 P50406 1/20 0.35
SCN9A Q15858 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
S1PR1 P21453 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
FFAR1 O14842 2/20 0.33
PPARD Q03181 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
SCHEMBL12740338 0.97 SIGMAR1 (0.40) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL12740341 0.96 SIGMAR1 (0.39) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL12740339 0.96 SIGMAR1 (0.39) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL12740340 0.96 SIGMAR1 (0.39) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL14766846 0.94 NAAA (0.38) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL12740336 0.92 SIGMAR1 (0.43) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL14766637 0.92 FFAR1 (0.37) SIGMAR1DRD4NAAAALOX5APFEN1
SCHEMBL14766989 0.91 NAAA (0.37) SIGMAR1DRD4NAAAALOX5APFEN1
SCHEMBL12740344 0.90 SIGMAR1 (0.39) SIGMAR1TMEM97DRD4NAAAALOX5AP
SCHEMBL14767003 0.90 PPARD (0.38) NAAAALOX5APFEN1HTR6FFAR4

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 SIGMAR1 1690/4885TMEM97 2963/4885DRD4 97/4885

“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.