SCHEMBL12224684

SCHEMBL12224684

CCCC(O)c1ccc(C2CCC(COC3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.36
▸ SCN9A Q15858 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ HCRTR2 O43614 4/20 0.31
▸ ACACB O00763 1/20 0.30

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
SCHEMBL12224680 1.00 GPR119 (0.36) GPR119SCN9ACNR2HCRTR2ACACB
SCHEMBL12223321 0.93 GPR119 (0.34) GPR119SCN9ACNR2HCRTR2ACACB
SCHEMBL12223510 0.93 GPR119 (0.34) GPR119SCN9ACNR2HCRTR2ACACB
SCHEMBL10091383 0.93 CNR2 (0.36) SCN9ACNR2
SCHEMBL12223582 0.92 GPR119 (0.37) GPR119SCN9ACNR2HCRTR2ACACB
SCHEMBL10091425 0.91 PDE4A (0.32) ACACB
SCHEMBL12223009 0.90 GPR119 (0.36) GPR119HCRTR2
SCHEMBL12223580 0.90 GPR119 (0.36) GPR119HCRTR2
SCHEMBL10302857 0.90 CNR2 (0.38) SCN9ACNR2
SCHEMBL12223491 0.90 CNR2 (0.38) SCN9ACNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 GPR119 4269/4885SCN9A 2120/4885CNR2 253/4885

“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.

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