SCHEMBL393566

SCHEMBL393566

COc1cc(C(=O)OCOC(=O)N(CC(=O)OCc2ccccc2)C(C)(C)C)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 2/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
PDE4D Q08499 2/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA4 P43681 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL393666 0.89 KMT2A (0.43) MAPK1L3MBTL1HTTSLC6A3KMT2A
SCHEMBL392216 0.86 TDP1 (0.41) MAPK1L3MBTL1SLC6A3KMT2ASMN1; SMN2
SCHEMBL395232 0.85 MAPT (0.44) SLC6A3KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL394504 0.84 SCN1A (0.47) MAPK1L3MBTL1HTTOPRM1OPRD1
SCHEMBL392819 0.83 MAPT (0.49) MAPK1L3MBTL1SLC6A3KMT2ASMN1; SMN2
SCHEMBL394173 0.83 MAPT (0.47) MAPK1L3MBTL1SLC6A3KMT2ASMN1; SMN2
SCHEMBL395726 0.83 KMT2A (0.48) MAPK1L3MBTL1HTTSLC6A3KMT2A
SCHEMBL393185 0.82 MAPT (0.41) MAPK1L3MBTL1HTTSLC6A3KMT2A
SCHEMBL393493 0.82 MAPT (0.45) MAPK1L3MBTL1SLC6A3KMT2ASMN1; SMN2
SCHEMBL395276 0.82 MAPT (0.45) MAPK1L3MBTL1SLC6A3KMT2ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 MAPK1 1988/4885L3MBTL1 3336/4885HTT 4182/4885

“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.