SCHEMBL2266629

SCHEMBL2266629

O=C[C@H]1CC[C@H](COc2cccc(F)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNN4 O15554 1/20 0.39
METAP2 P50579 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HTR2C P28335 4/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
CTSB P07858 1/20 0.36
PTGIR P43119 1/20 0.36
DCPS Q96C86 1/20 0.35
MCHR1 Q99705 2/20 0.35

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
SCHEMBL2266633 1.00 RIPK1 (0.39) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL15969381 0.89 RIPK1 (0.46) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL2261954 0.87 CTSL (0.40) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL16501547 0.87 RIPK1 (0.38) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL2261945 0.87 CTSL (0.40) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL12366340 0.86 BRD4 (0.42) RIPK1KCNN4HTR2CHTR2AHTR2B
SCHEMBL12366353 0.85 RIPK1 (0.40) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL2270247 0.85 RIPK1 (0.40) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL2270254 0.85 RIPK1 (0.40) RIPK1KDM4CSLC6A2SLC6A4SLC6A3
SCHEMBL2266993 0.83 KCNN4 (0.36) RIPK1KDM4CSLC6A2SLC6A4SLC6A3

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 4 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-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 RIPK1 2530/4885KDM4C 3185/4885SLC6A2 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.