SCHEMBL6795558

SCHEMBL6795558

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.51
ALOX5AP P20292 2/20 0.51
GPR34 Q9UPC5 1/20 0.47
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
ESR2 Q92731 2/20 0.45
MLNR O43193 1/20 0.45
ABCB11 O95342 1/20 0.45
NR3C1 P04150 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL6796561 0.93 ESR1 (0.51) ESR1EDNRBEDNRAESR2MLNR
SCHEMBL4144091 0.92 ESR1 (0.51) ESR1ALOX5AP
SCHEMBL6802235 0.92 ESR1 (0.52) ESR1GPR34EDNRBEDNRAESR2
SCHEMBL6794385 0.91 ESR1 (0.53) ESR1EDNRBEDNRAESR2MLNR
SCHEMBL6789437 0.90 ESR1 (0.54) ESR1EDNRBEDNRAESR2PLA2G2A
SCHEMBL4151712 0.88 ESR1 (0.51) ESR1EDNRBEDNRAESR2MLNR
SCHEMBL635012 0.88 PLA2G2A (0.56) ESR1EDNRBEDNRAESR2MLNR
SCHEMBL6796210 0.88 ESR1 (0.47) ESR1EDNRBEDNRAESR2MLNR
SCHEMBL19949697 0.87 ESR1 (0.60) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4152278 0.87 EDNRB (0.52) ESR1EDNRBEDNRAPLA2G2A

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 2/4885ALOX5AP 765/4885GPR34 575/4885

“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.