SCHEMBL19796566

SCHEMBL19796566

C=C(C)C(=O)OCCOc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1CCO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.37
CNR1 P21554 8/20 0.37
TSHR P16473 2/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CYP2C9 P11712 1/20 0.33
PPARG P37231 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL19796627 0.96 CNR2 (0.38) CNR2CNR1TSHRCYP2C9CA1
SCHEMBL19796528 0.94 TSHR (0.36) CNR2CNR1TSHRPDE4APDE4B
SCHEMBL19796997 0.93 CNR2 (0.35) CNR2CNR1TSHRCYP2C9CA1
SCHEMBL19796685 0.92 CNR2 (0.35) CNR2CNR1TSHRPDE4APDE4B
SCHEMBL19796585 0.90 CNR2 (0.36) CNR2CNR1TSHRCYP2C9CA1
SCHEMBL19796652 0.90 PDE4A (0.37) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL19796555 0.89 TSHR (0.36) CNR2CNR1TSHRCYP2C9CA1
SCHEMBL19796709 0.89 CNR2 (0.40) CNR2CNR1TSHRPDE4APDE4B
SCHEMBL19797123 0.89 CA1 (0.35) CNR2CNR1TSHRPDE4APDE4B
SCHEMBL19796550 0.89 TSHR (0.38) CNR2CNR1TSHRCYP2C9CA1

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.