SCHEMBL2266993

SCHEMBL2266993

C=CC1CCC(C2CCC(COc3cccc(F)c3F)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
RIPK1 Q13546 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
METAP2 P50579 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
DCPS Q96C86 2/20 0.33
CYP2D6 P10635 1/20 0.33
DGAT1 O75907 1/20 0.33
HTR1A P08908 1/20 0.33
MCHR1 Q99705 2/20 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
SCHEMBL2266997 1.00 KCNN4 (0.36) KCNN4RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2266985 1.00 KCNN4 (0.36) KCNN4RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL16501547 0.96 RIPK1 (0.38) KCNN4RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL24170300 0.88 HTR2C (0.37) RIPK1HTR2CHTR2AHTR2B
SCHEMBL12366417 0.88 HTR2C (0.37) RIPK1HTR2CHTR2AHTR2B
SCHEMBL12366291 0.87 RIPK1 (0.37) KCNN4RIPK1HTR2CHTR2AHTR2B
SCHEMBL28673516 0.85 KCNN4 (0.42) KCNN4RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL15969381 0.84 RIPK1 (0.46) KCNN4RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL18466411 0.83 MCHR1 (0.43) KCNN4RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2266633 0.83 RIPK1 (0.39) KCNN4RIPK1SLC6A2SLC6A4SLC6A3

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 10 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
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 KCNN4 482/4885RIPK1 2530/4885SLC6A2 2829/4885

“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.