SCHEMBL20102565

SCHEMBL20102565

CCCCCC1CCC(COc2cc3c(c(F)c2F)-c2c-3ccc(C3CCC(CCC)CC3)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
CNR2 P34972 14/20 0.33
CNR1 P21554 3/20 0.32
SCN9A Q15858 2/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL20102611 0.94 ALOX5AP (0.32) ALOX5APFEN1CNR2CNR1SCN9A
SCHEMBL20111364 0.91 ALOX5AP (0.39) ALOX5APFEN1CNR2SCN9A
SCHEMBL20117671 0.91 SCN9A (0.39) ALOX5APFEN1CNR2CNR1SCN9A
SCHEMBL20102566 0.91 ALOX5AP (0.31) ALOX5APFEN1CNR2
SCHEMBL20102571 0.89 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL20111515 0.88 ALOX5AP (0.36) ALOX5APFEN1SCN9A
SCHEMBL20117735 0.88 SCN9A (0.36) ALOX5APFEN1CNR2CNR1SCN9A
SCHEMBL20102395 0.88 MEN1 (0.33) ALOX5APFEN1HTR2A
SCHEMBL20102568 0.88 CNR2 (0.33) ALOX5APFEN1CNR2CNR1SCN9A
SCHEMBL20102554 0.86 MEN1 (0.33)

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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 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-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S ALOX5AP 2002/4885FEN1 1547/4885CNR2 836/4885

“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.