SCHEMBL20111546

SCHEMBL20111546

C/C=C/C1CCC(COc2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
C5AR1 P21730 1/20 0.31
SLC6A9 P48067 1/20 0.31
BRD4 O60885 2/20 0.31
KDM2B Q8NHM5 1/20 0.30
PHF8 Q9UPP1 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
SCHEMBL20102520 0.88 PDE10A (0.32) PDE4BHTR2AHTR2CHTR2BBRD4
SCHEMBL20111547 0.87 HTR2A (0.32) HTR2AHTR2CHTR2BBRD4
SCHEMBL20111370 0.84 HTR2A (0.31) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL20111269 0.83 HTR2A (0.33) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL20111716 0.82 SCN9A (0.36) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL14391382 0.81 PDE4B (0.35) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL20102588 0.80
SCHEMBL12366356 0.79 HPGD (0.37) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL20111311 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BSLC6A9
SCHEMBL24170296 0.77 HTR2C (0.36) PDE4APDE4BPDE4CPDE4DHTR2A

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-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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 (2 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S PDE4A 1178/4885PDE4B 909/4885PDE4C 1016/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S PDE4A 1178/4885PDE4B 909/4885PDE4C 1016/4885

“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.