SCHEMBL6865590

SCHEMBL6865590

C=CCOc1c(/C(COCC)=N/OC)c(=O)oc2c(C)c(O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 17/20 0.40
ESR1 P03372 12/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6865594 1.00 ESR2 (0.40) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL6866518 0.86 ESR2 (0.44) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL6866516 0.86 ESR2 (0.44) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL6867018 0.81 ALDH1A1 (0.38) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL6870181 0.78 HSP90AB1 (0.49) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL6864329 0.77 ESR2 (0.41) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL6864333 0.77 ESR2 (0.41) ESR2ESR1KDM4EALDH1A1HPGD
SCHEMBL6867902 0.76 ESR2 (0.47) ESR2ESR1
SCHEMBL6867899 0.76 ESR2 (0.47) ESR2ESR1
SCHEMBL7706774 0.75 ESR2 (0.44) ESR2ESR1KDM4EALDH1A1HPGD

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 ESR2 3671/4885ESR1 4629/4885KDM4E 1566/4885

“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.