SCHEMBL393185

SCHEMBL393185

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL394359 0.87 HRH3 (0.43) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL395232 0.86 MAPT (0.44) MAPTALDH1A1HPGDLMNATDP1
SCHEMBL395726 0.86 KMT2A (0.48) MAPTHTTALDH1A1HPGDLMNA
SCHEMBL392819 0.86 MAPT (0.49) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL394173 0.86 MAPT (0.47) MAPTALDH1A1HPGDLMNATDP1
SCHEMBL393666 0.85 KMT2A (0.43) MAPTKDM4EHTTALDH1A1HPGD
SCHEMBL395276 0.85 MAPT (0.45) MAPTALDH1A1HPGDLMNATDP1
SCHEMBL393493 0.85 MAPT (0.45) MAPTALDH1A1HPGDLMNATDP1
SCHEMBL392216 0.85 TDP1 (0.41) MAPTALDH1A1HPGDLMNATDP1
SCHEMBL393202 0.84 MAPT (0.42) MAPTALDH1A1HPGDLMNATDP1

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 MAPT 4452/4885KDM4E 1240/4885HTT 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.