SCHEMBL4629962

SCHEMBL4629962

O=C(OCc1oc(=O)oc1-c1ccccc1)OCc1oc(=O)oc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
PTGS1 P23219 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NR4A2 P43354 4/20 0.36
NR4A1 P22736 2/20 0.36
NR4A3 Q92570 2/20 0.36
PTPN1 P18031 1/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL4629964 0.90 GAA (0.38) KDM4EGAAKMT2AMEN1PTGS1
SCHEMBL7602386 0.88 ALDH1A1 (0.49) KDM4EGAAKMT2AMEN1PTGS1
SCHEMBL15159745 0.84 NPC1 (0.40) KDM4EGAAKMT2AMEN1PTGS1
SCHEMBL5986734 0.81 KDM4E (0.35) KDM4EGAAKMT2AMEN1HSD17B10
SCHEMBL18848305 0.81 LMNA (0.42) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL5987375 0.80 HTR2A (0.47) KMT2AALDH1A1MAPTPOLBMAPK1
SCHEMBL15161586 0.80 ABCG2 (0.41) KDM4EGAAKMT2AMEN1PTGS1
SCHEMBL18660440 0.80 IDO1 (0.37) KDM4EGAAKMT2AMEN1PTGS1
SCHEMBL18792925 0.80 LMNA (0.41) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL15159746 0.79 ABCG2 (0.35) KDM4EGAAKMT2AMEN1HSD17B10

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
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 1240/4885GAA 1566/4885KMT2A 2161/4885

“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.