SCHEMBL20313698

SCHEMBL20313698

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(C3CCC(CCC4CCC(CCCCC)CC4)CC3)c(CC)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.32
▸ CNR1 P21554 7/20 0.32
▸ LNPEP Q9UIQ6 2/20 0.31
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL19854652 0.99 CNR2 (0.33) CNR2CNR1LNPEPITGB3ITGA2B
SCHEMBL20407705 0.95 CNR2 (0.31) CNR2CNR1LNPEPITGB3ITGA2B
SCHEMBL20322660 0.94 — —
SCHEMBL20407707 0.94 LNPEP (0.31) LNPEPITGB3ITGA2B
SCHEMBL20322883 0.94 CNR1 (0.30) CNR2CNR1
SCHEMBL20313561 0.93 CYP2C9 (0.32) PDE4APDE4D
SCHEMBL19854668 0.91 MEN1 (0.30) —
SCHEMBL19722539 0.89 CNR2 (0.38) CNR2CNR1LNPEPITGB3ITGA2B
SCHEMBL19855537 0.89 RARB (0.39) CNR2CNR1ITGB3ITGA2BRARA
SCHEMBL19855087 0.89 PPARG (0.36) CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 CNR2 668/4885CNR1 229/4885LNPEP 3602/4885

“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.

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