SCHEMBL4151193

SCHEMBL4151193

CCOC(=O)COc1ccc(CCl)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 1/20 0.50
TTR P02766 2/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FDPS P14324 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13858533 0.86 ALDH1A1 (0.62) ALDH1A1KMT2AADORA2AADORA2BGAA
SCHEMBL5522834 0.86 ESR1 (0.54) ALDH1A1KMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL6809807 0.85 ALDH1A1 (0.61) ALDH1A1KMT2AADORA2AADORA2BGAA
SCHEMBL25194428 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL27914118 0.83 ALDH1A1 (0.62) ALDH1A1KMT2AGAALMNASMN1; SMN2
SCHEMBL11112709 0.82 MEN1 (0.58) KMT2ATTRSMN1; SMN2TDP1TSHR
SCHEMBL2719391 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AADORA2AADORA2BGAA
SCHEMBL3687429 0.81 ALDH1A1 (0.67) ALDH1A1KMT2AADORA2AADORA2BGAA
SCHEMBL11333719 0.80 CALM1 (0.61) ALDH1A1TTRGAALMNASMN1; SMN2
SCHEMBL3533533 0.80 ALDH1A1 (0.65) ALDH1A1KMT2AADORA2AADORA2BGAA

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 63 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-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 US disclosed
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-8815934-B2 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH LLC (US) 2014-08-26 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-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2012-10-04 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
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
EP-1076558-A1 2-PHENYL-1-[-(2-AMINOETHOXY)-BENZYL -INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP 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
WO-1999059581-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE IN COMBINATION WITH ESTROGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-25 WO 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 (4 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 ALDH1A1 468/4885KMT2A 2075/4885TTR 4726/4885
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ALDH1A1 1112/4885KMT2A 943/4885TTR 4581/4885
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ALDH1A1 1112/4885KMT2A 943/4885TTR 4581/4885
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS BRCA1, ESR2, PKD2 ALDH1A1 2037/4885KMT2A 397/4885TTR 1199/4885

“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.