SCHEMBL4155561

SCHEMBL4155561

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.53
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL4151712 0.94 ESR1 (0.51) ESR1ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL6794385 0.93 ESR1 (0.53) ESR1ESR2
SCHEMBL4165406 0.92 ESR1 (0.52) ESR1ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL4167949 0.92 ESR1 (0.52) ESR1SMN1; SMN2MEN1KMT2A
SCHEMBL4152278 0.91 EDNRB (0.52) ESR1SMN1; SMN2MEN1KMT2A
SCHEMBL4144091 0.91 ESR1 (0.51) ESR1SMN1; SMN2MEN1KMT2A
SCHEMBL4155886 0.90 ESR1 (0.51) ESR1SMN1; SMN2MEN1KMT2A
SCHEMBL12939116 0.89 ESR1 (0.49) ESR1ESR2
SCHEMBL4146704 0.88 ESR1 (0.53) ESR1SMN1; SMN2MEN1KMT2A
SCHEMBL27480940 0.87 ESR1 (0.64) 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 36 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-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-20070054895-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2007-03-08 US disclosed
US-7138392-B2 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents MILLER CHRIS P 2006-11-21 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 (7 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 ESR1 1/4885ESR2 2/4885LMNA 3609/4885
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ESR1 2/4885ESR2 1/4885LMNA 3265/4885
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ESR1 2/4885ESR2 1/4885LMNA 3265/4885
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 ESR1 2/4885ESR2 1/4885LMNA 3265/4885
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations ESR1, ESR2, CYP19A1 ESR1 1/4885ESR2 2/4885LMNA 3176/4885
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS BRCA1, ESR2, PKD2 ESR1 5/4885ESR2 2/4885LMNA 2247/4885
US-20070054895-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents ESR2, GPER1, ESR1 ESR1 3/4885ESR2 1/4885LMNA 3172/4885

“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.