SCHEMBL6828759

SCHEMBL6828759

Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 19/20 1.00
ESR1 P03372 15/20 1.00
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL26768202 0.92 ESR2 (0.84) ESR2ESR1
SCHEMBL6926041 0.87 ESR2 (1.00) ESR2ESR1
SCHEMBL6828263 0.87 ESR2 (1.00) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL3766383 0.83 KDM4E (0.74) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL6828387 0.82 ESR2 (1.00) ESR2ESR1
SCHEMBL6926052 0.82 ESR2 (1.00) ESR2ESR1
SCHEMBL6828141 0.82 ESR2 (0.85) ESR2ESR1
SCHEMBL6825266 0.81 ESR2 (1.00) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL25906179 0.80 ESR2 (0.66) ESR2ESR1KDM4EALDH1A1GAA
SCHEMBL26779867 0.78 ESR2 (0.70) ESR2ESR1KDM4EGAA

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-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO 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-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM ESR2 4060/4885ESR1 4838/4885KDM4E 4333/4885

“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.