SCHEMBL4152278

SCHEMBL4152278

CCOC(=O)COc1ccc(Cn2c(-c3ccc(OC)cc3)c(C)c3cc(OCc4ccccc4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.52
EDNRA P25101 1/20 0.52
ESR1 P03372 12/20 0.51
GRIK2 Q13002 2/20 0.49
GRIK1 P39086 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLA2G2A P14555 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4151712 0.96 ESR1 (0.51) EDNRBEDNRAESR1MEN1KMT2A
SCHEMBL4165406 0.95 ESR1 (0.52) EDNRBEDNRAESR1MEN1KMT2A
SCHEMBL4167949 0.95 ESR1 (0.52) ESR1GRIK2MEN1KMT2APLA2G2A
SCHEMBL4144091 0.93 ESR1 (0.51) ESR1MEN1KMT2ASMN1; SMN2
SCHEMBL4155886 0.92 ESR1 (0.51) EDNRBEDNRAESR1MEN1KMT2A
SCHEMBL12939116 0.91 ESR1 (0.49) ESR1
SCHEMBL4160105 0.91 ESR1 (0.60) ESR1GRIK2GRIK1MEN1KMT2A
SCHEMBL7837415 0.91 EDNRB (0.45) EDNRBEDNRAESR1MEN1KMT2A
SCHEMBL4155561 0.91 ESR1 (0.53) ESR1MEN1KMT2ASMN1; SMN2
SCHEMBL6796561 0.90 ESR1 (0.51) EDNRBEDNRAESR1GRIK2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 US disclosed
US-8815934-B2 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH LLC (US) 2014-08-26 US disclosed
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2012-10-04 US disclosed
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS WYETH (US) 2009-07-09 US disclosed
US-7449455-B2 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2008-11-11 US disclosed
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2008-01-24 US disclosed
US-7247624-B2 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2007-07-24 US disclosed
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations WYETH (US) 2007-06-21 US disclosed
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH (US) 2007-06-14 US disclosed
US-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH (US) 2007-06-14 US disclosed
US-6479535-B1 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations WYETH 2002-11-12 US disclosed
US-6326367-B1 THERAPY FOR OVARIAN CANCER AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US disclosed
EP-0802183-B1 Estrogenic agents AMERICAN HOME PROD (US) 2001-10-10 EP disclosed
US-6291451-B1 USEFUL IN THE TREATMENT OR INHIBITION OF BREAST CANCER. AMERICAN HOME PRODUCTS CORPORATION 2001-09-18 US disclosed
US-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents WYETH 2001-09-13 US disclosed
US-6232307-B1 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)-INDOLE COMPOUNDS USEFUL AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-05-15 US disclosed
US-6225308-B1 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)-INDOLE COMPOUNDS WHICH ARE USEFUL AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-05-01 US disclosed
US-6127404-A 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)INDOLE COMPOUNDS USEFUL AS ESTROGEN AGONISTS/ANTAGONISTS; OSTEOPOROSIS; ANTICHOLESTEROL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
US-5998402-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS;POSTMEMOPAUSE THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-07 US disclosed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 EP 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 (8 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-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents ESR1, ESR2, GPER1 EDNRB 216/4885EDNRA 88/4885ESR1 1/4885
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 EDNRB 60/4885EDNRA 45/4885ESR1 2/4885
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 EDNRB 60/4885EDNRA 45/4885ESR1 2/4885
US-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 EDNRB 60/4885EDNRA 45/4885ESR1 2/4885
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 EDNRB 60/4885EDNRA 45/4885ESR1 2/4885
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations ESR1, ESR2, CYP19A1 EDNRB 60/4885EDNRA 40/4885ESR1 1/4885
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS BRCA1, ESR2, PKD2 EDNRB 794/4885EDNRA 809/4885ESR1 5/4885
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents BRCA1, PKD2, CYP19A1 EDNRB 583/4885EDNRA 696/4885ESR1 5/4885

“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.