SCHEMBL394356

SCHEMBL394356

COc1cc(OC)cc(C(=O)OCOC(=O)N(CC(=O)O)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 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 0.87 CA1 (0.43) GAASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL394504 0.86 SCN1A (0.47) KMT2AMEN1PKMKDM4ESMN1; SMN2
SCHEMBL395297 0.84 TDP1 (0.36) L3MBTL1
SCHEMBL393666 0.83 KMT2A (0.43) KMT2AMEN1KDM4EGAASMN1; SMN2
SCHEMBL394359 0.79 HRH3 (0.43) KMT2AKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL394161 0.79 RAB9A (0.43) KMT2AMEN1GAASMN1; SMN2MAPT
SCHEMBL390172 0.78 ADRB2 (0.43) KMT2AMEN1KDM4ESMN1; SMN2MAPT
SCHEMBL393282 0.78 ADRB2 (0.43) KMT2AKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL395449 0.78 NPSR1 (0.43) SMN1; SMN2MAPTALDH1A1NPSR1L3MBTL1
SCHEMBL392988 0.77 KDM4E (0.46) KMT2AMEN1KDM4ESMN1; SMN2MAPT

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 5 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
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 2161/4885MEN1 1471/4885PKM 4697/4885

“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.