SCHEMBL8944586

SCHEMBL8944586

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCC=C)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTR2C P28335 6/20 0.31
HTR2B P41595 4/20 0.31
HTR2A P28223 4/20 0.31
ADRB2 P07550 2/20 0.30
HTR1A P08908 2/20 0.30
CHRM5 P08912 2/20 0.30
ADRA2A P08913 2/20 0.30
DRD2 P14416 2/20 0.30
ADRA2B P18089 2/20 0.30
ADRA2C P18825 2/20 0.30
DRD4 P21917 2/20 0.30
HRH2 P25021 2/20 0.30
SLC6A4 P31645 2/20 0.30
HTR7 P34969 2/20 0.30
DRD3 P35462 2/20 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
SCHEMBL13579257 0.93 ALOX5 (0.36) ALOX5HTR2CHTR2BHTR2A
SCHEMBL8944732 0.93 FPR2 (0.34) ALOX5
SCHEMBL8944517 0.92 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8943413 0.92 HTR2C (0.32) ALOX5PDE4APDE4BPDE4CPDE4D
SCHEMBL8944548 0.90 FPR2 (0.35) ALOX5
SCHEMBL8944797 0.90 FPR2 (0.35) ALOX5SLC6A4
SCHEMBL15255949 0.90 FPR2 (0.35) ALOX5SLC6A4
SCHEMBL8943918 0.90 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944693 0.90 CNR2 (0.32)
SCHEMBL8944184 0.89 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DHTR2C

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 3 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

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 ALOX5 603/4885PDE4A 1397/4885PDE4B 857/4885

“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.