SCHEMBL6866281

SCHEMBL6866281

CO/N=C/c1c(O)c2ccc(OC3CCCCO3)c(C)c2oc1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.36
GBA1 P04062 1/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KMT2A Q03164 2/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
FHIT P49789 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
SCHEMBL6866286 1.00 PDE4B (0.36) PDE4BGBA1MAOAMAOBNPC1
SCHEMBL6867104 0.87 MAOA (0.41) PDE4BGBA1MAOAMAOBNPC1
SCHEMBL6867849 0.83 KDM4E (0.38) PDE4BMAOAMAOBNPC1RAB9A
SCHEMBL6867853 0.83 KDM4E (0.38) PDE4BMAOAMAOBNPC1RAB9A
SCHEMBL6870324 0.81 GBA1 (0.39) PDE4BGBA1MAOAMAOBNPC1
SCHEMBL6870320 0.81 GBA1 (0.39) PDE4BGBA1MAOAMAOBNPC1
SCHEMBL7794175 0.79 GBA1 (0.42) PDE4BGBA1MAOAMAOBNPC1
SCHEMBL6867776 0.79 GBA1 (0.44) PDE4BGBA1MAOAMAOBNPC1
SCHEMBL6864866 0.78 ALDH1A1 (0.39) PDE4BMAOAMAOBNPC1RAB9A
SCHEMBL6864871 0.78 ALDH1A1 (0.39) PDE4BMAOAMAOBNPC1RAB9A

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 2 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-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

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 PDE4B 3169/4885GBA1 578/4885MAOA 1017/4885

“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.