SCHEMBL10301906

SCHEMBL10301906

C=CCOc1ccc(C2CCC(/C=C/c3ccc(C)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.35
HTR2B P41595 8/20 0.35
TUBB1 Q9H4B7 4/20 0.34
HTR2A P28223 7/20 0.33
PDE4B Q07343 2/20 0.33
ADRB2 P07550 2/20 0.33
HTR1A P08908 2/20 0.33
CHRM5 P08912 2/20 0.33
ADRA2A P08913 2/20 0.33
DRD2 P14416 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
DRD4 P21917 2/20 0.33
HRH2 P25021 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR7 P34969 2/20 0.33
DRD3 P35462 2/20 0.33
HTR6 P50406 2/20 0.33
KCNH2 Q12809 2/20 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
SCHEMBL10301907 0.90 TUBB1 (0.33) TUBB1
SCHEMBL10301900 0.90 TUBB1 (0.40) TUBB1
SCHEMBL12739065 0.87 HTR2C (0.36) HTR2CHTR2BTUBB1HTR2APDE4B
SCHEMBL14766537 0.86 HTR2C (0.34) HTR2CHTR2BTUBB1HTR2APDE4B
SCHEMBL10301901 0.86 SCN9A (0.35) TUBB1PDE4B
SCHEMBL10302997 0.86 HTR2C (0.33) HTR2CHTR2BTUBB1HTR2AADRB2
SCHEMBL10301792 0.85 HTR2C (0.35) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL10301903 0.84 THRA (0.33) TUBB1PDE4B
SCHEMBL12739259 0.83 HTR2C (0.32) HTR2CHTR2BHTR2APDE4BADRB2
SCHEMBL12718024 0.83 HTR2C (0.33) HTR2CHTR2BTUBB1HTR2AADRB2

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 HTR2C 770/4885HTR2B 1904/4885TUBB1 548/4885

“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.