SCHEMBL12366348

SCHEMBL12366348

C=CCCC1CCC(COc2ccc(C)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HTR2B P41595 2/20 0.34
PDE4B Q07343 7/20 0.33
SLC6A9 P48067 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HPGD P15428 2/20 0.32
CNR2 P34972 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL13417685 0.96 RIPK1 (0.34) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL13417736 0.89 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL12366346 0.88 RIPK1 (0.41) RIPK1HTR2AHTR2CHTR2BPDE10A
SCHEMBL12366452 0.88 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL2262973 0.88 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL2262979 0.88 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL13417688 0.86 HTR2C (0.35) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL12366352 0.86 SLC6A4 (0.37) RIPK1HTR2AHTR2CHTR2BHPGD
SCHEMBL13417733 0.86 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPDE4B
SCHEMBL13417684 0.86 RIPK1 (0.35) RIPK1HTR2AHTR2CHTR2BPDE4B

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 5 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-7670504-B2 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK & CHEMICALS, INC. (JP) 2010-03-02 US disclosed
US-7651630-B2 Difluorobenzene derivative and nematic liquid crystal composition using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-01-26 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-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-02-26 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 (2 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-20090050843-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME HCN2, TRPV2, TRPV5 RIPK1 2592/4885HTR2A 3728/4885HTR2C 3149/4885
US-20090200514-A1 DIFLUOROBENZENE DERIVATIVE AND NEMATIC LIQUID CRYSTAL COMPOSITION USING THE SAME TRPV2, HCN2, DVL1 RIPK1 2530/4885HTR2A 3375/4885HTR2C 2621/4885

“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.