SCHEMBL12759138

SCHEMBL12759138

CCCCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CC2)OC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.34
SGPL1 O95470 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR2 P25090 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
DPP4 P27487 2/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PDE4D Q08499 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
SCHEMBL12759139 0.97 PDE4B (0.33) PDE4BSGPL1S1PR1FPR2HTR2A
SCHEMBL12759166 0.96 SGPL1 (0.33) PDE4BSGPL1S1PR1FPR2DPP4
SCHEMBL12759145 0.93 HTR2C (0.33) HTR2AHTR2CHTR2BPTGFRPTGER3
SCHEMBL12759137 0.93 PDE4B (0.35) PDE4BSGPL1S1PR1FPR2HTR2A
SCHEMBL12759167 0.93 SGPL1 (0.33) PDE4BSGPL1S1PR1FPR2
SCHEMBL12759159 0.92 HTR2A (0.32) HTR2AHTR2CHTR2BPTGFRPTGER3
SCHEMBL12759152 0.91 HTR2C (0.32) HTR2AHTR2CHTR2BPTGFRPTGER3
SCHEMBL12759146 0.90 HTR2A (0.32) HTR2AHTR2CHTR2BPTGFRPTGER3
SCHEMBL12759160 0.89 HTR2A (0.32) HTR2AHTR2CHTR2BPTGFRPTGER3
SCHEMBL12759169 0.89 SGPL1 (0.34) PDE4BSGPL1S1PR1FPR2HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272837-B1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2014-12-17 EP disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
US-7914862-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-03-29 US disclosed
EP-2272837-A1 LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2011-01-12 EP disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 US disclosed
US-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-11-12 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-20090278088-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, CCDC22 PDE4B 1918/4885SGPL1 3820/4885S1PR1 2547/4885

“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.