SCHEMBL12366356

SCHEMBL12366356

C/C=C/C1CCC(COc2ccc(OCC3CCCCC3)c(F)c2F)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
C5AR1 P21730 2/20 0.36
MCHR1 Q99705 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PARP10 Q53GL7 2/20 0.35
CYP19A1 P11511 1/20 0.35
RIPK1 Q13546 1/20 0.35
PARP15 Q460N3 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL24170296 0.90 HTR2C (0.36) HPGDHTR2AHTR2CHTR2BRIPK1
SCHEMBL22820268 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL28595566 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL28585122 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL17407822 0.90 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL19317404 0.89 PDE4B (0.39) HTR2AHTR2CHTR2BPDE4APDE4B
SCHEMBL13417687 0.88 HTR2A (0.34) HPGDHTR2AHTR2CHTR2BRIPK1
SCHEMBL15723004 0.86 HTR2A (0.34) HPGDHTR2AHTR2CHTR2BRIPK1
SCHEMBL22820269 0.86 HTR2A (0.34) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL13417731 0.86 HTR2A (0.34) HTR2AHTR2CHTR2BRIPK1PDE4A

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-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

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 HPGD 3697/4885SLC6A4 3387/4885HTR6 4326/4885

“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.