SCHEMBL18272058

SCHEMBL18272058

C=C(C)C(=O)OCC(COC(=O)C(C)(C)CC(=C)C(=O)O)OC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 15/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ KCNQ2 O43526 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATG4B Q9Y4P1 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
SCHEMBL16127811 0.95 L3MBTL1 (0.38) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL22213482 0.91 L3MBTL1 (0.35) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL18269756 0.82 LMNA (0.42) L3MBTL1HTTMAPTALDH1A1MEN1
SCHEMBL16127934 0.79 SCN1A (0.40) MEN1LMNAKMT2A
SCHEMBL19712958 0.78 CHRM3 (0.45) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL20885165 0.78 MTNR1A (0.33) KMT2A
SCHEMBL22213477 0.77 CHRM3 (0.35) CHRM3L3MBTL1HTTCHRM2CHRM1
SCHEMBL17036157 0.74 LMNA (0.38) L3MBTL1MAPTALDH1A1MEN1LMNA
SCHEMBL16143851 0.73 CHRNB2 (0.43) L3MBTL1HTTMAPTALDH1A1LMNA
SCHEMBL12018024 0.73 CHRNB2 (0.49) L3MBTL1ALDH1A1MEN1LMNAKMT2A

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
US-9730864-B2 Addition-fragmentation oligomers having high refractive index groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-08-15 — — US disclosed
US-20160346170-A1 ADDITION-FRAGMENTATION OLIGOMERS HAVING HIGH REFRACTIVE INDEX GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2016-12-01 — — 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-20160346170-A1 ADDITION-FRAGMENTATION OLIGOMERS HAVING HIGH REFRACTIVE INDEX GROUPS ZYX, MACF1, PYCARD CHRM3 3602/4885L3MBTL1 2887/4885HTT 3723/4885

“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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