SCHEMBL2266149

SCHEMBL2266149

CCC1CCC(COc2ccc(O)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
RIPK1 Q13546 1/20 0.37
SLC6A9 P48067 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
KMO O15229 1/20 0.33
CYP19A1 P11511 1/20 0.33
VEGFA P15692 1/20 0.33
BRD4 O60885 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL2266143 1.00 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL17528231 0.88 RIPK1 (0.38) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL15445798 0.87 RIPK1 (0.41) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL24170503 0.86 HTR2C (0.40) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL14391042 0.86 HTR2C (0.40) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL14095921 0.85 RIPK1 (0.36) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL9562061 0.85 RIPK1 (0.36) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL9562068 0.85 RIPK1 (0.36) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL19169287 0.84 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL29703845 0.84 ESR1 (0.43) PDE4BPDE4APDE4CPDE4DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1860089-B1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION MAKING USE OF THE SAME DAINIPPON INK & CHEMICALS (JP) 2011-12-21 EP disclosed
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-8003006-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2011-08-23 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 US disclosed
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-08-13 US disclosed
EP-1860089-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION MAKING USE OF THE SAME Dainippon Ink and Chemicals, Incorporated (JP) 2007-11-28 EP disclosed
EP-1860089-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION MAKING USE OF THE SAME Dainippon Ink and Chemicals, Incorporated (JP) 2007-11-28 EP 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-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME TRPV2, HCN2, DVL1 PDE4B 1572/4885PDE4A 2230/4885PDE4C 1957/4885

“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.