SCHEMBL20102536

SCHEMBL20102536

CCCCCOc1ccc2c(c1F)-c1c-2cc(C2CCC(C3CCC(CCCCC)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
HPGD P15428 2/20 0.32
SCN9A Q15858 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL20102421 0.91 HPGD (0.32) PPARGHPGDGAAMAPT
SCHEMBL20102568 0.88 CNR2 (0.33) SCN9AMAPT
SCHEMBL20102543 0.87
SCHEMBL20102596 0.86 GAA (0.34) GAAMAPT
SCHEMBL20102595 0.86 GAA (0.32) GAAMAPT
SCHEMBL20102605 0.86 GAA (0.34) GAAMAPT
SCHEMBL20102546 0.86 PPARG (0.31) PPARGHPGDPTGESALOX5THRA
SCHEMBL20102551 0.85 CNR2 (0.31) PPARGHPGD
SCHEMBL20102557 0.85 HPGD (0.31) HPGD
SCHEMBL20102447 0.85

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 PPARG 3170/4885HPGD 4744/4885SCN9A 2846/4885

“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.