SCHEMBL394881

SCHEMBL394881

CC(C)(C)c1ccc(C(=O)OCOC(=O)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
SRD5A2 P31213 1/20 0.43
TNF P01375 1/20 0.43
KLF5 Q13887 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL8448417 0.86 ESR1 (0.45) CA1CA2TDP1L3MBTL1MAPK1
SCHEMBL2334169 0.81 CA1 (0.49) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL394866 0.81 TDP1 (0.52) CA1CA2MAPTTDP1ALDH1A1
SCHEMBL5456918 0.80 HDAC1 (0.52) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL571045 0.79 CA12 (0.63) CA1CA2MAPTTDP1MAPK1
SCHEMBL7715544 0.79 GAA (0.50) CA1CA2MAPTL3MBTL1ALDH1A1
SCHEMBL395527 0.78 CA1 (0.56) CA1CA2MAPTHDAC1ALDH1A1
SCHEMBL393791 0.77 MAPT (0.47) CA1CA2MAPTMAPK1ALDH1A1
SCHEMBL14984037 0.77 TDP1 (0.58) CA1CA2MAPTTDP1L3MBTL1
SCHEMBL6063574 0.77 CA1 (0.49) CA1CA2MAPTTDP1L3MBTL1

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 4 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
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 CA1 3111/4885CA2 1296/4885MAPT 4452/4885

“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.