SCHEMBL6860108

SCHEMBL6860108

Cc1c(OC2CCCCO2)cc(CC(C)C)c2c(OCc3ccccc3)c(C(=O)O)c(=O)oc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.35
CYP1A2 P05177 1/20 0.34
P2RY12 Q9H244 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EDNRA P25101 1/20 0.33
SLC10A1 Q14973 1/20 0.33
SLC26A3 P40879 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL6867279 0.93 PDE4B (0.37) PDE4BP2RY12KDM4EALDH1A1MAPT
SCHEMBL7793419 0.83 KDM4E (0.42) P2RY12KDM4EALDH1A1MAPTHPGD
SCHEMBL6870370 0.80 MAOB (0.41) KDM4EHPGDEDNRASLC26A3MAOA
SCHEMBL6860106 0.78 SLC26A3 (0.37) P2RY12KDM4EALDH1A1MAPTHPGD
SCHEMBL6867274 0.76 NPC1 (0.40) P2RY12KDM4EALDH1A1MAPTHPGD
SCHEMBL7789617 0.69 HSP90AA1 (0.41) KDM4E
SCHEMBL7789618 0.69 HSP90AA1 (0.41) KDM4E
SCHEMBL7794175 0.69 GBA1 (0.42) PDE4BKDM4EALDH1A1MAPTHPGD
SCHEMBL8850032 0.67 PPARG (0.42) KDM4EALDH1A1POLBMAOB
SCHEMBL8850267 0.66 LMNA (0.43) PDE4BKDM4EALDH1A1POLBMAOA

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 PDE4B 3169/4885CYP1A2 1547/4885P2RY12 1703/4885

“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.