SCHEMBL394164

SCHEMBL394164

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.37
ABCB1 P08183 9/20 0.37
ABCG2 Q9UNQ0 6/20 0.36
NCEH1 Q6PIU2 2/20 0.36

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
SCHEMBL395083 0.87 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL393653 0.83 ADRB2 (0.46) KDM4EALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL390379 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL394359 0.81 HRH3 (0.43) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL390306 0.80 CA12 (0.36) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL395270 0.79 KMT2A (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL394011 0.78 MEN1 (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL438867 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL393176 0.78 ELANE (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL393341 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDMEN1KMT2A

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 KDM4E 1240/4885ALDH1A1 1826/4885HPGD 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.