SCHEMBL392489

SCHEMBL392489

CCCCOC(=O)N(CC(=O)OC(=O)OCC(C)C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL394246 0.88 GAA (0.33) ALDH1A1
SCHEMBL11776940 0.75 ALDH1A1 (0.47) NAAAALDH1A1ATMMAPT
SCHEMBL394865 0.74 ALDH1A1 (0.42) NAAAALDH1A1ATM
Chloromethane SCHEMBL27516270 0.72 ALDH1A1 (0.47) NAAAALDH1A1ATMMAPT
SCHEMBL12928355 0.72 ALDH1A1 (0.47) NAAAALDH1A1ATM
SCHEMBL451401 0.72 ALDH1A1 (0.50) NAAAALDH1A1ATMMAPT
Ammonia Solution, Strong SCHEMBL27742278 0.70 ALDH1A1 (0.48) NAAAALDH1A1ATMMAPT
SCHEMBL24059782 0.70 NAAA (0.42) NAAAALDH1A1ATM
SCHEMBL4590011 0.70 ALDH1A1 (0.46) ALDH1A1
SCHEMBL395591 0.70 TSHR (0.36) ALDH1A1

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 9 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-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
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
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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 NAAA 833/4885ALDH1A1 1826/4885ATM 3806/4885

“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.