SCHEMBL389124

SCHEMBL389124

CCCCOC(=O)N(CC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.41
CETP P11597 3/20 0.39
MBOAT4 Q96T53 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL394992 0.87 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL394685 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL395208 0.84 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL393742 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPK1TDP1SMN1; SMN2
SCHEMBL393395 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1TDP1CYP3A4
SCHEMBL393060 0.82 TSHR (0.44) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL392959 0.82 TSHR (0.44) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL4629959 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1TDP1SMN1; SMN2
SCHEMBL393102 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1TSHRTDP1
SCHEMBL389298 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TSHRTDP1

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 ALDH1A1 1826/4885L3MBTL1 3336/4885MAPK1 1988/4885

“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.