SCHEMBL22459277

SCHEMBL22459277

C=C(COC)C(=O)OCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCOC(=O)C(=C)COC)cc4)cc3OC(=O)C(=C)COC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.37
▸ PDE4A P27815 6/20 0.36
▸ PDE4B Q07343 6/20 0.36
▸ PDE4C Q08493 6/20 0.36
▸ PDE4D Q08499 6/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.34
▸ MET P08581 4/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ PTAFR P25105 2/20 0.32
▸ RARB P10826 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ LMNA P02545 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
SCHEMBL22459276 0.92 EGFR (0.41) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL22459876 0.89 EGFR (0.39) EGFRPDE4APDE4BPDE4CPDE4D
SCHEMBL22459716 0.89 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DTNKS2
SCHEMBL22459808 0.88 TNKS2 (0.42) TNKS2METAKR1B10AKR1B1ALOX5
SCHEMBL22561079 0.88 LPAR1 (0.33) PDE4APDE4BPDE4CPDE4DTNKS2
SCHEMBL22082240 0.87 RARB (0.38) PDE4APDE4BPDE4CPDE4DRARB
SCHEMBL22459252 0.87 LMNA (0.40) METAKR1B10AKR1B1RARBLMNA
SCHEMBL22459412 0.87 LMNA (0.40) METAKR1B10AKR1B1RARBLMNA
SCHEMBL22459840 0.87 RARB (0.34) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL22459611 0.87 RARB (0.43) RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725764-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2020-10-21 — — EP disclosed
US-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-09-24 — — 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-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, CCND1, CPNE4 EGFR 2937/4885PDE4A 4002/4885PDE4B 4162/4885

“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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