SCHEMBL12759164

SCHEMBL12759164

CCC1CCC(C2CCC(COc3ccc(OC)c(F)c3F)CO2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.35
S1PR1 P21453 1/20 0.35
PDE4B Q07343 14/20 0.34
FPR2 P25090 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
ADRA2C P18825 1/20 0.30
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
SCHEMBL12759136 0.95 PDE4B (0.36) SGPL1S1PR1PDE4BFPR2HTR2A
SCHEMBL12759177 0.93 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL12759169 0.91 SGPL1 (0.34) SGPL1S1PR1PDE4BFPR2HTR2A
SCHEMBL12759187 0.89 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL12759166 0.89 SGPL1 (0.33) SGPL1S1PR1PDE4BFPR2PDE4D
SCHEMBL12759137 0.88 PDE4B (0.35) SGPL1S1PR1PDE4BFPR2HTR2A
SCHEMBL12759199 0.88 SMN1; SMN2 (0.32) HTR2AHTR2CHTR2B
SCHEMBL12759143 0.88 HTR2C (0.35) PDE4BHTR2AHTR2CHTR2BPDE4D
SCHEMBL12759167 0.88 SGPL1 (0.33) SGPL1S1PR1PDE4BFPR2
SCHEMBL12759168 0.86 SGPL1 (0.33) SGPL1S1PR1PDE4BFPR2

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 SGPL1 3820/4885S1PR1 2547/4885PDE4B 1918/4885

“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.