SCHEMBL6789437

SCHEMBL6789437

COC(=O)COc1ccc(Cn2c(-c3ccc(C(F)(F)F)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.54
PPARG P37231 2/20 0.45
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
PLA2G2A P14555 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL4146704 0.93 ESR1 (0.53) ESR1PPARGPPARDPPARA
SCHEMBL6802235 0.91 ESR1 (0.52) ESR1EDNRBEDNRAESR2
SCHEMBL6795558 0.90 ESR1 (0.51) ESR1EDNRBEDNRAPLA2G2AESR2
SCHEMBL6796561 0.90 ESR1 (0.51) ESR1PPARGEDNRBEDNRAESR2
SCHEMBL6794385 0.88 ESR1 (0.53) ESR1PPARGEDNRBEDNRAESR2
SCHEMBL4157994 0.87 ESR1 (0.62) ESR1ESR2
SCHEMBL4151712 0.85 ESR1 (0.51) ESR1EDNRBEDNRAESR2
SCHEMBL635012 0.85 PLA2G2A (0.56) ESR1PPARGEDNRBEDNRAPLA2G2A
SCHEMBL6796210 0.85 ESR1 (0.47) ESR1EDNRBEDNRAESR2
SCHEMBL4158873 0.85 ESR1 (0.59) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229932-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indoles as estrogenic agents WYETH 2004-11-18 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-20040229932-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indoles as estrogenic agents ESR2, ESR1, GPER1 ESR1 2/4885PPARG 119/4885EDNRB 55/4885

“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.