SCHEMBL20313561

SCHEMBL20313561

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 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 0.94 CNR2 (0.33) PDE4APDE4D
SCHEMBL20313698 0.93 CNR2 (0.32) PDE4APDE4D
SCHEMBL19855944 0.91 LNPEP (0.33) —
SCHEMBL20313559 0.91 FFAR4 (0.34) CYP2C9ALDH1A1LMNAMAPTPDE4A
SCHEMBL20313552 0.90 — —
SCHEMBL19854641 0.89 — —
SCHEMBL20322883 0.89 CNR1 (0.30) —
SCHEMBL20407705 0.89 CNR2 (0.31) —
SCHEMBL20313613 0.89 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL20322660 0.88 — —

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-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 CYP2C9 3375/4885ALDH1A1 2615/4885LMNA 839/4885

“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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