SCHEMBL19796679

SCHEMBL19796679

C=C(C)C(=O)OCCOc1cc(C2OCC(C3CCC(CCCCC)CC3)CO2)ccc1CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.33
CNR1 P21554 5/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL19796528 0.89 TSHR (0.36) CNR2CNR1TSHR
SCHEMBL19804386 0.86 CA1 (0.33)
SCHEMBL19796990 0.84 CNR2 (0.34) CNR2CNR1TSHR
SCHEMBL19796566 0.83 CNR2 (0.37) CNR2CNR1TSHR
SCHEMBL19796627 0.82 CNR2 (0.38) CNR2CNR1TSHR
SCHEMBL19007881 0.81 CNR2 (0.35) CNR2CNR1TSHR
SCHEMBL19796518 0.79 TSHR (0.39) CNR2CNR1TSHR
SCHEMBL19796652 0.79 PDE4A (0.37) TSHR
SCHEMBL19796997 0.79 CNR2 (0.35) CNR2CNR1TSHR
SCHEMBL19796508 0.78 TSHR (0.37) CNR2CNR1TSHR

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 CNR2 1075/4885CNR1 320/4885TSHR 4195/4885

“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.