SCHEMBL395809

SCHEMBL395809

O=C(Cl)OCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
SLC1A5 Q15758 1/20 0.54
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5210552 0.89 TDP1 (0.57) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL8448417 0.87 ESR1 (0.45) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL27914437 0.81 KDM4E (0.60) KDM4ESLC1A5PDCD1CD274ALDH1A1
SCHEMBL7715544 0.80 GAA (0.50) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL28875175 0.79 TDP1 (0.68) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL51601 0.79 TDP1 (0.68) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL394866 0.79 TDP1 (0.52) ALDH1A1SMN1; SMN2TDP1LMNAMAPT
SCHEMBL393791 0.79 MAPT (0.47) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13291800 0.78 KDM4E (0.66) KDM4ESLC1A5PDCD1CD274ALDH1A1
SCHEMBL24106782 0.77 MEN1 (0.70) KDM4ESLC1A5PDCD1CD274ALDH1A1

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 KDM4E 1240/4885SLC1A5 64/4885PDCD1 4268/4885

“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.