SCHEMBL8961823

SCHEMBL8961823

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCCCC5)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.34
HTR2B P41595 5/20 0.34
FEN1 P39748 8/20 0.33
HTR2A P28223 7/20 0.33
ALOX5AP P20292 5/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GYS1 P13807 1/20 0.32
ADRB2 P07550 2/20 0.31
HTR1A P08908 2/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
DRD4 P21917 2/20 0.31
HRH2 P25021 2/20 0.31
SLC6A4 P31645 2/20 0.31
HTR7 P34969 2/20 0.31
DRD3 P35462 2/20 0.31

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
SCHEMBL8934901 0.93 FEN1 (0.38) HTR2CHTR2BFEN1HTR2AALOX5AP
SCHEMBL18517278 0.92 HTR2C (0.38) HTR2CHTR2BHTR2APTGDRPTGDR2
SCHEMBL8962031 0.90 HTR2C (0.35) HTR2CHTR2BFEN1HTR2AALOX5AP
SCHEMBL13000266 0.88 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL8962246 0.88 HTR2C (0.35) HTR2CHTR2BFEN1HTR2AALOX5AP
SCHEMBL19986380 0.87 HTR2C (0.38) HTR2CHTR2BFEN1HTR2AALOX5AP
SCHEMBL12733895 0.86 HTR2C (0.37) HTR2CHTR2BFEN1HTR2AALOX5AP
SCHEMBL8934980 0.86 HTR2C (0.37) HTR2CHTR2BFEN1HTR2AALOX5AP
SCHEMBL8962413 0.85 HTR2C (0.33) HTR2CHTR2BHTR2A
SCHEMBL14765807 0.84 HTR2C (0.36) HTR2CHTR2BFEN1HTR2AALOX5AP

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 HTR2C 447/4885HTR2B 1261/4885FEN1 4226/4885

“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.