SCHEMBL19796709

SCHEMBL19796709

C=C(C)C(=O)OCCOc1cc(C2CCC(C3CCC(CCCCC)CC3)CC2)ccc1CC[Si](OC)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
CNR1 P21554 6/20 0.40
PDE4A P27815 5/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
CYP2C9 P11712 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
SCHEMBL19796566 0.89 CNR2 (0.37) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL19796627 0.88 CNR2 (0.38) CNR2CNR1TSHRCYP2C9
SCHEMBL19796528 0.88 TSHR (0.36) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL19796652 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL19796997 0.83 CNR2 (0.35) CNR2CNR1TSHRLMNACYP2C9
SCHEMBL19796685 0.82 CNR2 (0.35) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL19796990 0.82 CNR2 (0.34) CNR2CNR1TSHRLMNACYP2C9
SCHEMBL19797131 0.82 TSHR (0.34) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL19797123 0.82 CA1 (0.35) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL19796851 0.81 TSHR (0.36) 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 320/4885PDE4A 2412/4885

“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.