SCHEMBL12366406

SCHEMBL12366406

C=CC1CCC(COc2ccc(OCC3CCC(C=C)CC3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.40
HTR2A P28223 5/20 0.40
HTR2B P41595 5/20 0.40
RIPK1 Q13546 1/20 0.36
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
VEGFA P15692 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
SCHEMBL12366417 0.95 HTR2C (0.37) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL24170300 0.95 HTR2C (0.37) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL26036401 0.94 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL1853160 0.94 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL1512802 0.94 HTR2C (0.42) HTR2CHTR2AHTR2BPDE4D
SCHEMBL1853162 0.94 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL1512804 0.94 HTR2C (0.42) HTR2CHTR2AHTR2BPDE4D
SCHEMBL18509998 0.94 SLC6A4 (0.39) HTR2CHTR2AHTR2B
SCHEMBL12205254 0.93 HPGD (0.39) HTR2CHTR2AHTR2BRIPK1PDE4B
SCHEMBL2266958 0.93 HTR2C (0.36) HTR2CHTR2AHTR2BRIPK1PDE4B

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-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-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

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 HTR2C 2621/4885HTR2A 3375/4885HTR2B 2616/4885

“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.