SCHEMBL6870320

SCHEMBL6870320

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
PDE4B Q07343 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
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
SCHEMBL6870324 1.00 GBA1 (0.39) GBA1MAOAMAOBPDE4BMAPK1
SCHEMBL6866064 0.88 GBA1 (0.38) GBA1MAOAMAOBMAPK1HSD17B10
SCHEMBL6866066 0.88 GBA1 (0.38) GBA1MAOAMAOBMAPK1HSD17B10
SCHEMBL6867776 0.87 GBA1 (0.44) GBA1MAOAMAOBPDE4BMAPK1
SCHEMBL7794175 0.85 GBA1 (0.42) GBA1MAOAMAOBPDE4BMAPK1
SCHEMBL6864871 0.85 ALDH1A1 (0.39) MAOAMAOBPDE4BMAPK1HSD17B10
SCHEMBL6864866 0.85 ALDH1A1 (0.39) MAOAMAOBPDE4BMAPK1HSD17B10
SCHEMBL7613510 0.84 KDM4E (0.39) GBA1MAOAMAOBMAPK1HSD17B10
SCHEMBL7613513 0.84 KDM4E (0.39) GBA1MAOAMAOBMAPK1HSD17B10
SCHEMBL7075879 0.83 LMNA (0.41) KDM4E

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 GBA1 578/4885MAOA 1017/4885MAOB 1037/4885

“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.