SCHEMBL10301873

SCHEMBL10301873

CCCCOc1ccc(C2CCC(/C=C/c3ccc(C)cc3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR1A P08908 1/20 0.33
PPARD Q03181 2/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PPARA Q07869 1/20 0.31
NFE2L2 Q16236 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10301872 0.97 THRB (0.36) SCN9ASLC6A2SLC6A4HTR1APPARD
SCHEMBL10301876 0.96 THRB (0.35) SCN9ASLC6A2SLC6A4HTR1APPARD
SCHEMBL10301874 0.96 THRB (0.35) SCN9ASLC6A2SLC6A4HTR1APPARD
SCHEMBL10301867 0.92 SLC6A2 (0.35) SLC6A2SLC6A4HTR1APPARDMAPT
SCHEMBL10301880 0.90 HTR1A (0.34) SLC6A2SLC6A4HTR1AL3MBTL1
SCHEMBL10301879 0.88 HTR1A (0.34) SLC6A2SLC6A4HTR1A
SCHEMBL10301787 0.86 SCN9A (0.32) SCN9A
SCHEMBL11933579 0.85 SCN9A (0.31) SCN9A
SCHEMBL10301589 0.85 SCN9A (0.40) SCN9ASLC6A2SLC6A4HTR1APPARD
SCHEMBL12734235 0.85 ALOX5AP (0.31)

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 SCN9A 2704/4885SLC6A2 3969/4885SLC6A4 3574/4885

“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.