SCHEMBL22459417

SCHEMBL22459417

C=C(COC)C(=O)OCCOc1ccc(-c2cc(OCCOC(=O)C(=C)COC)c(-c3ccc(OCCOC(=O)C(=C)COC)cc3)cc2OCCOC(=O)C(=C)COC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ PRKAB2 O43741 1/20 0.37
▸ PRKAG1 P54619 1/20 0.37
▸ PRKAA2 P54646 1/20 0.37
▸ PRKAA1 Q13131 1/20 0.37
▸ PRKAG3 Q9UGI9 1/20 0.37
▸ PRKAG2 Q9UGJ0 1/20 0.37
▸ PRKAB1 Q9Y478 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MGAM O43451 6/20 0.35
▸ GAA P10253 6/20 0.35
▸ SI P14410 6/20 0.35

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
SCHEMBL22459603 0.95 ALPL (0.41) TDP1POLBAPEX1HTTMGAM
SCHEMBL22459860 0.92 EGFR (0.43) CHEK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22459285 0.90 EGFR (0.39) CHEK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22459575 0.88 POLB (0.44) BACE1CHEK2PRKAB2PRKAG1PRKAA2
SCHEMBL22459353 0.88 POLB (0.43) CHEK2TDP1POLBAPEX1HTT
SCHEMBL22459248 0.88 POLB (0.43) CHEK2TDP1POLBAPEX1HTT
SCHEMBL22459449 0.88 POLB (0.43) CHEK2TDP1POLBAPEX1HTT
SCHEMBL22459844 0.88 POLB (0.42) CHEK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22459332 0.87 PPARD (0.39) CHEK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL22459241 0.86 PDE4A (0.39) CHEK2TDP1POLBAPEX1HTT

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 BACE1 1443/4885CHEK2 4093/4885PRKAB2 4784/4885

“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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