SCHEMBL22459813

SCHEMBL22459813

C=C(COC)C(=O)OCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCCOC(=O)C(=C)COC)cc4)cc3OC(=O)C(=C)COC)c(OC(=O)C(=C)COC)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 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
SCHEMBL22459811 0.97 EGFR (0.40) CHEK2EGFRPOLBAPEX1HTT
SCHEMBL22459285 0.94 EGFR (0.39) CHEK2EGFRPOLBAPEX1HTT
SCHEMBL22459860 0.91 EGFR (0.43) CHEK2EGFRPOLBAPEX1HTT
SCHEMBL22459566 0.91 PPARG (0.37) CHEK2POLBAPEX1HTTTDP1
SCHEMBL22459821 0.90 MAPK1 (0.37) CHEK2POLBAPEX1HTTTDP1
SCHEMBL22459475 0.90 CHEK2 (0.40) CHEK2EGFRPOLBAPEX1HTT
SCHEMBL22561040 0.89 CHEK2 (0.38) CHEK2POLBAPEX1HTTTDP1
SCHEMBL22459599 0.88 ERN1 (0.37) CHEK2POLBAPEX1HTTTDP1
SCHEMBL22459241 0.88 PDE4A (0.39) CHEK2POLBAPEX1HTTTDP1
SCHEMBL22459326 0.88 POLB (0.39) CHEK2POLBAPEX1HTTTDP1

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 CHEK2 4093/4885EGFR 2937/4885POLB 3467/4885

“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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