SCHEMBL6860101

SCHEMBL6860101

Cc1c(O)ccc2c(OCc3ccccc3)c(C(=O)OCC(C)C)c(=O)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
ESR2 Q92731 6/20 0.43
MAOB P27338 2/20 0.43
KCNA2 P16389 1/20 0.42
KCNA5 P22460 1/20 0.42
KCNA1 Q09470 1/20 0.42
MAPT P10636 2/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
ESR1 P03372 4/20 0.40
KDM4E B2RXH2 2/20 0.40
JAK2 O60674 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
MPI P34949 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL6866676 0.90 SHBG (0.51) SHBGGAATP53ESR2MAOB
SCHEMBL27567023 0.87 KCNA2 (0.42) TP53MAOBKCNA2KCNA5KCNA1
SCHEMBL6937223 0.85 SHBG (0.55) SHBGGAATP53ESR2MAOB
SCHEMBL6860106 0.80 SLC26A3 (0.37) TP53MAPTKDM4EPOLBMAPK1
SCHEMBL27500090 0.72 KCNA2 (0.47) GAAKCNA2KCNA5KCNA1MAPT
SCHEMBL24045237 0.72 GAA (0.55) SHBGGAATP53ESR2MAPT
SCHEMBL6870370 0.71 MAOB (0.41) SHBGGAATP53ESR2MAOB
SCHEMBL6867274 0.70 NPC1 (0.40) TP53MAPTKDM4EPOLBMAPK1
SCHEMBL27517970 0.69 ALDH1A1 (0.53) GAAESR2MAOBMAPTKDM4E
SCHEMBL1590178 0.66 KMT2A (0.52) GAAKCNA2KCNA5KCNA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1308342-C Ribose-substituted aromatic compounds, process for their preparation and their use as medicaments AVENTIS PHARMA SA (FR) 2007-04-04 CN disclosed
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
CN-1227564-A Novel aromatic compounds substituted by ribose, preparation method and application as medicine thereof HOECHST MARION ROUSSEL INC (FR) 1999-09-01 CN 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 SHBG 4806/4885GAA 183/4885TP53 3888/4885

“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.