SCHEMBL393672

SCHEMBL393672

CC(C)(C)N(CC(=O)OCC[Si](C)(C)C)C(=O)OCOC(=O)/C=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 5/20 0.42
AKR1B1 P15121 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APP P05067 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
PPARA Q07869 1/20 0.36
EGFR P00533 1/20 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
SCHEMBL390167 0.84 LMNA (0.48) AKR1B10AKR1B1ALDH1A1LMNARAB9A
SCHEMBL390168 0.84 LMNA (0.48) AKR1B10AKR1B1ALDH1A1LMNARAB9A
SCHEMBL393674 0.79 CYP3A4 (0.35) LMNAMEN1KMT2A
SCHEMBL390379 0.76 KDM4E (0.40) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9855968 0.72 LMNA (0.71) AKR1B10AKR1B1ALDH1A1LMNARAB9A
SCHEMBL9855964 0.72 LMNA (0.71) AKR1B10AKR1B1ALDH1A1LMNARAB9A
SCHEMBL392854 0.72
SCHEMBL6746067 0.69 LMNA (0.61) AKR1B10AKR1B1ALDH1A1LMNARAB9A
SCHEMBL6746068 0.69 LMNA (0.61) AKR1B10AKR1B1ALDH1A1LMNARAB9A
SCHEMBL393477 0.69 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
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 AKR1B10 257/4885AKR1B1 2129/4885ALDH1A1 1826/4885

“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.