SCHEMBL20102568

SCHEMBL20102568

CCCCCC1CCC(c2cc3c(c(F)c2F)-c2c-3ccc(OCC3CCC(CCC)CC3)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CNR1 P21554 1/20 0.32
SCN9A Q15858 4/20 0.32
SCN5A Q14524 1/20 0.32
ALOX5AP P20292 3/20 0.31
FEN1 P39748 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 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
SCHEMBL20102421 0.91 HPGD (0.32) MAPT
SCHEMBL20111342 0.90 ALOX5AP (0.39) HTR2AHTR2CHTR2BSCN9ASCN5A
SCHEMBL20102571 0.89 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL20102565 0.88 ALOX5AP (0.33) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL20102536 0.88 PPARG (0.33) SCN9AMAPT
SCHEMBL20102554 0.86 MEN1 (0.33) ALDH1A1MAPT
SCHEMBL20102573 0.86 RIPK1 (0.32) HTR2AHTR2CHTR2B
SCHEMBL20102557 0.85 HPGD (0.31)
SCHEMBL20102517 0.85 GRM2 (0.32) HTR2AHTR2CHTR2B
SCHEMBL20102396 0.85 HTR2A (0.32) HTR2AHTR2CHTR2B

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 CNR2 836/4885HTR2A 791/4885HTR2C 134/4885

“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.