SCHEMBL394105

SCHEMBL394105

Cc1c(C(=O)OCOC(=O)N(CC(=O)OCc2ccccc2)C(C)(C)C)oc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
HCRTR1 O43613 1/20 0.45
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
KCNH2 Q12809 1/20 0.42
AHR P35869 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL392737 0.88 KMT2A (0.53) POLBRAB9AKMT2AHCRTR1KDM4E
SCHEMBL392839 0.80 MEN1 (0.53) POLBRAB9AKMT2AKDM4EMEN1
SCHEMBL392222 0.79 ALDH1A1 (0.39) RAB9AKMT2AMAPTL3MBTL1NPC1
SCHEMBL394173 0.79 MAPT (0.47) POLBRAB9AKMT2APKMMAPT
SCHEMBL395083 0.78 ALDH1A1 (0.41) POLBRAB9AKMT2AKDM4EMEN1
SCHEMBL394313 0.78 ADRB2 (0.42) POLBRAB9AKMT2AKDM4EMEN1
SCHEMBL395208 0.78 ALDH1A1 (0.44) RAB9AKMT2AMEN1TSHRMAPT
SCHEMBL393102 0.78 ALDH1A1 (0.59) KMT2AMEN1TSHRL3MBTL1
SCHEMBL392216 0.78 TDP1 (0.41) RAB9AKMT2APKMMAPTL3MBTL1
SCHEMBL390169 0.77 ALDH1A1 (0.37) RAB9AKMT2AMAPTL3MBTL1NPC1

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 POLB 2123/4885RAB9A 4/4885KMT2A 2161/4885

“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.