SCHEMBL393339

SCHEMBL393339

CC(C)Oc1ccc(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
PARP10 Q53GL7 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 7/20 0.39
TP53 P04637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ACHE P22303 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 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
SCHEMBL395054 0.86 CA1 (0.43) MAPTALDH1A1LMNAHSD17B10
SCHEMBL393202 0.85 MAPT (0.42) KMT2ANR1H4MAPTALDH1A1LMNA
SCHEMBL394161 0.84 RAB9A (0.43) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL390172 0.83 ADRB2 (0.43) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL395449 0.83 NPSR1 (0.43) NR1H4MAPTNPSR1ALDH1A1LMNA
SCHEMBL390381 0.81 MAPK1 (0.41) KMT2AMAPTALDH1A1LMNA
SCHEMBL392988 0.81 KDM4E (0.46) KMT2AMAPTALDH1A1KDM4ENPY1R
SCHEMBL395808 0.81 CYP1A2 (0.38) KMT2AMAPTALDH1A1KDM4ELMNA
SCHEMBL393282 0.80 ADRB2 (0.43) KMT2AMAPTPOLBALDH1A1KDM4E
SCHEMBL393528 0.79 HPGD (0.48) KMT2AMAPTTP53NPSR1POLB

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 KMT2A 2161/4885PARP10 108/4885NR1H4 1774/4885

“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.