SCHEMBL392839

SCHEMBL392839

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 7/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
MAOB P27338 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
AKR1B1 P15121 1/20 0.40
RAB9A P51151 2/20 0.39

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
SCHEMBL394011 0.89 MEN1 (0.55) MEN1KMT2AMAPTHTTHSD17B10
SCHEMBL393185 0.82 MAPT (0.41) KMT2AMAPTHTTMAPK1ALDH1A1
SCHEMBL395083 0.82 ALDH1A1 (0.41) MEN1KMT2AMAPTHSD17B10MAPK1
SCHEMBL394105 0.80 POLB (0.48) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL394313 0.80 ADRB2 (0.42) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL393102 0.79 ALDH1A1 (0.59) MEN1KMT2AHTTMAPK1ALDH1A1
SCHEMBL395208 0.79 ALDH1A1 (0.44) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL392216 0.79 TDP1 (0.41) KMT2AMAPTMAPK1ALDH1A1HPGD
SCHEMBL393551 0.79 CCKBR (0.45) MEN1KMT2AMAPTHSD17B10ALDH1A1
SCHEMBL390169 0.78 ALDH1A1 (0.37) KMT2AMAPTMAPK1ALDH1A1HPGD

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 MEN1 1471/4885KMT2A 2161/4885MAPT 4452/4885

“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.