SCHEMBL9017795

SCHEMBL9017795

C=CCOc1ccc(-c2ccc(-c3ccc(C4CCC(C(C)O)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
APP P05067 1/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
FPR2 P25090 1/20 0.32
HTR2A P28223 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 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
SCHEMBL9017451 0.87 HTR2C (0.32) HTR2CHTR2BFPR2HTR2AMEN1
SCHEMBL9016799 0.87 HTR2C (0.32) HTR2CHTR2BHTR2AMEN1ALDH1A1
SCHEMBL8944833 0.86 HTR2C (0.36) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944456 0.86 HTR2C (0.35) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944384 0.83 HTR2C (0.34) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8943413 0.83 HTR2C (0.32) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8953868 0.82 HTR2C (0.34) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8944586 0.82 ALOX5 (0.31) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8933399 0.82 HTR2C (0.35) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9016842 0.82 FPR2 (0.32) FPR2

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-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 PDE4A 1397/4885PDE4B 857/4885PDE4C 1273/4885

“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.