SCHEMBL22459833

SCHEMBL22459833

C=C(COC)C(=O)OCCCc1ccc(-c2ccc(CCCOC(=O)C(=C)COC)cc2OCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.34
▸ MET P08581 1/20 0.34

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
SCHEMBL22459876 0.95 EGFR (0.39) RARBPTPN11CYP11B1CYP11B2CYP19A1
SCHEMBL22459837 0.92 POLB (0.41) RARBPPARGPTPN11
SCHEMBL22459276 0.89 EGFR (0.41) RARBPPARGCYP11B1CYP11B2CYP19A1
SCHEMBL22459808 0.89 TNKS2 (0.42) PPARGPPARATNKS2MET
SCHEMBL22459240 0.85 TNKS2 (0.41) PPARGPPARATNKS2MET
SCHEMBL19855659 0.85 PTPN11 (0.39) RARBPTPN11CYP11B1CYP11B2CYP19A1
SCHEMBL22083053 0.85 PTPN11 (0.43) RARBPPARGPPARAPTPN11AGTR2
SCHEMBL22459369 0.85 RARB (0.35) RARBPPARGAGTR2TNKS2MET
SCHEMBL22459568 0.84 PPARG (0.39) PPARGPTPN11CYP11B1CYP11B2TNKS2
SCHEMBL22459277 0.84 EGFR (0.37) RARBTNKS2MET

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-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 RARB 3668/4885PPARG 4176/4885PPARA 3401/4885

“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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