SCHEMBL6864871

SCHEMBL6864871

CCOCC(=NOC)c1c(O)c2ccc(OC3CCCCO3)c(C)c2oc1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
TSHR P16473 2/20 0.36
FHIT P49789 1/20 0.35
PDE4B Q07343 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6864866 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6867869 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6867018 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6870320 0.85 GBA1 (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6870324 0.85 GBA1 (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6864371 0.82 NPC1 (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL7794175 0.80 GBA1 (0.42) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6867776 0.80 GBA1 (0.44) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6867104 0.78 MAOA (0.41) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL6866286 0.78 PDE4B (0.36) ALDH1A1HPGDKMT2AMEN1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812331-B2 BACTERICIDES AVENTIS PHARMA S.A. (FR) 2004-11-02 US disclosed
US-6350733-B1 4-HYDROXYBENZOPYRAN-2-ONE DERIVATIVES; BACTERICIDES FOR STAPHYLOCOCCUS INFECTIONS; SKIN DISORDERS AVENTIS PHARMA S.A. (FR) 2002-02-26 US disclosed
US-20020010322-A1 New aromatic derivatives substituted by a ribose, their preparation process and their use as medicaments AVENTIS PHARMA S.A. 2002-01-24 US disclosed
EP-0906326-B1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE AVENTIS PHARMA SA (FR) 2001-11-21 EP disclosed
EP-0906326-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1999-04-07 EP disclosed
WO-1997047634-A1 NOVEL AROMATIC DERIVATIVES SUBSTITUTED BY A RIBOSE, THEIR METHOD OF PREPARATION AND APPLICATION AS MEDICINE HOECHST MARION ROUSSEL (FR) 1997-12-18 WO 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-20020010322-A1 New aromatic derivatives substituted by a ribose, their preparation process and their use as medicaments RPIA, CD38, PARP1 ALDH1A1 1370/4885KDM4E 1566/4885HPGD 1146/4885

“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.