SCHEMBL6860106

SCHEMBL6860106

Cc1c(OC2CCCCO2)ccc2c(OCc3ccccc3)c(C(=O)OCC(C)C)c(=O)oc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC26A3 P40879 1/20 0.37
SLC10A1 Q14973 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
P2RY12 Q9H244 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FHIT P49789 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6867274 0.92 NPC1 (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7793419 0.89 KDM4E (0.42) SLC26A3MAPTKDM4EALDH1A1HPGD
SCHEMBL6867087 0.84 RAB9A (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6860101 0.80 SHBG (0.47) SLC26A3MAPTKDM4ESMN1; SMN2POLB
SCHEMBL6860108 0.78 PDE4B (0.35) SLC26A3SLC10A1MAPTKDM4EALDH1A1
SCHEMBL6860056 0.78 HSP90AB1 (0.39) KDM4E
SCHEMBL6860054 0.78 HSP90AB1 (0.39) KDM4E
SCHEMBL27567023 0.77 KCNA2 (0.42) MAPTKDM4EALDH1A1POLBHSD17B10
SCHEMBL7193790 0.77 HSP90AB1 (0.36) KDM4E
SCHEMBL6867279 0.77 PDE4B (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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
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

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 SLC26A3 3553/4885SLC10A1 2565/4885MAPT 3379/4885

“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.