SCHEMBL1045679

SCHEMBL1045679

CC(C)(C)OC(=O)COc1ccc(C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.54
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL4598237 0.92 PSEN1 (0.49) MEN1GAAKMT2AL3MBTL1LMNA
SCHEMBL1047069 0.88 PPARA (0.56) ELANEMEN1GAAKMT2AL3MBTL1
SCHEMBL7768560 0.85 PTPN1 (0.55) ELANEMEN1GAAKMT2AL3MBTL1
SCHEMBL2611828 0.84 MAPT (0.47) ESR1LMNAMAPTHPGDPSEN1
SCHEMBL7335964 0.83 L3MBTL1 (0.56) MEN1GAAKMT2AL3MBTL1LMNA
SCHEMBL10421964 0.83 PTGS2 (0.51) ELANEGAAESR1ESR2LMNA
SCHEMBL1964630 0.83 PLA2G4B (0.61) PKMHTTPTPN1
SCHEMBL6229185 0.81 PARP10 (0.57) MEN1GAAKMT2AL3MBTL1MAPT
SCHEMBL1964131 0.81 PSEN1 (0.46) ELANEMEN1GAAKMT2AL3MBTL1
4-Vinylphenol SCHEMBL3332947 0.81 MEN1 (0.47) MEN1GAAKMT2AL3MBTL1LMNA

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-20110021471-A1 REDUCING Abeta42 LEVELS AND Abeta AGGREGATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-01-27 US disclosed
WO-2009059239-A2 REDUCING Aβ42 LEVELS AND Aβ AGGREGATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-05-07 WO 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-20110021471-A1 REDUCING Abeta42 LEVELS AND Abeta AGGREGATION APP, BACE1, GAP43 ELANE 2281/4885MEN1 2435/4885GAA 535/4885

“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.