SCHEMBL22459475

SCHEMBL22459475

C=C(COC)C(=O)OCCOc1ccc(-c2ccc(-c3cnc(-c4ccc(OCCOC(=O)C(=C)COC)cc4)nc3)c(OC(=O)C(=C)COC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 2/20 0.40
▸ EGFR P00533 2/20 0.35
▸ FYN P06241 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ NPC1 O15118 6/20 0.33
▸ RAB9A P51151 6/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ACACB O00763 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MEN1 O00255 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
SCHEMBL22459811 0.91 EGFR (0.40) CHEK2EGFRACACBMAPTPOLB
SCHEMBL22459813 0.90 CHEK2 (0.36) CHEK2EGFRHSD17B10ACACBLMNA
SCHEMBL22459860 0.85 EGFR (0.43) CHEK2EGFRACACBMAPTPOLB
SCHEMBL22459285 0.84 EGFR (0.39) CHEK2EGFRACACBLMNAMAPT
SCHEMBL22459566 0.83 PPARG (0.37) CHEK2ACACBLMNAMAPTPOLB
SCHEMBL22459599 0.81 ERN1 (0.37) CHEK2CHEK1HSD17B10ACACBLMNA
SCHEMBL22459241 0.81 PDE4A (0.39) CHEK2ACACBLMNAMAPTPOLB
SCHEMBL22459821 0.81 MAPK1 (0.37) CHEK2HSD17B10KDM4ELMNAMAPT
SCHEMBL22459326 0.81 POLB (0.39) CHEK2RAB9AACACBLMNAMAPT
SCHEMBL22459353 0.80 POLB (0.43) CHEK2RAB9ASMN1; SMN2ACACBLMNA

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 2937/4885FYN 3473/4885

“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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