SCHEMBL393060

SCHEMBL393060

CCCCCCCOc1ccc(C(=O)OCOC(=O)N(CC(=O)OCc2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
PLA2G4B P0C869 7/20 0.43
PLK1 P53350 1/20 0.42
RARB P10826 3/20 0.42
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PLA2G4A P47712 1/20 0.40

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
SCHEMBL392959 1.00 TSHR (0.44) TSHRTP53PLA2G4BPLK1RARB
SCHEMBL392989 0.86 TP53 (0.51) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL393990 0.86 TP53 (0.51) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL392819 0.83 MAPT (0.49) TP53ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL394173 0.83 MAPT (0.47) ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL395726 0.83 KMT2A (0.48) ALDH1A1CYP3A4MAPK1TDP1L3MBTL1
SCHEMBL394685 0.83 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL393202 0.83 MAPT (0.42) ALDH1A1TDP1L3MBTL1ADRB2ADRB1
SCHEMBL395276 0.82 MAPT (0.45) ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL389124 0.82 ALDH1A1 (0.53) TSHRLTA4HALDH1A1CYP3A4MAPK1

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 TSHR 2245/4885TP53 2975/4885PLA2G4B 4667/4885

“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.