SCHEMBL395083

SCHEMBL395083

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
GLA P06280 2/20 0.41
ATM Q13315 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ABCB1 P08183 3/20 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
SCHEMBL394164 0.87 KDM4E (0.43) ALDH1A1L3MBTL1HPGDKDM4ETDP1
SCHEMBL394313 0.85 ADRB2 (0.42) ALDH1A1L3MBTL1HPGDKDM4ETDP1
SCHEMBL390169 0.84 ALDH1A1 (0.37) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL392222 0.84 ALDH1A1 (0.39) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL390379 0.84 KDM4E (0.40) ALDH1A1L3MBTL1HPGDKDM4ETDP1
SCHEMBL393185 0.83 MAPT (0.41) ALDH1A1L3MBTL1HPGDKDM4ETDP1
SCHEMBL395269 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1HPGDKDM4ETDP1
SCHEMBL392839 0.82 MEN1 (0.53) ALDH1A1HPGDKDM4ETDP1MAPT
SCHEMBL395208 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDTDP1MAPT
SCHEMBL393102 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1TDP1LMNAMAPK1

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 ALDH1A1 1826/4885L3MBTL1 3336/4885HPGD 4764/4885

“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.