SCHEMBL11033672

SCHEMBL11033672

CC(Br)C(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.68
NR4A2 P43354 5/20 0.67
SMPD1 P17405 1/20 0.60
SRD5A2 P31213 1/20 0.59
PTPN1 P18031 1/20 0.58
MAOA P21397 1/20 0.56
GPR132 Q9UNW8 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL10769843 0.89 MEN1 (0.65) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL20364678 0.89 MAOB (0.71) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL3362951 0.89 NR4A2 (0.70) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL14490205 0.87 MAOB (0.69) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7482212 0.87 MAOB (0.61) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL16217745 0.85 MAOB (0.66) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7911423 0.85 NR4A2 (0.65) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL7911418 0.85 NR4A2 (0.65) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL103047 0.84 MAOB (0.65) MAOBNR4A2SRD5A2SMN1; SMN2NR4A1
SCHEMBL9419082 0.83 MAOB (0.67) MAOBNR4A2SMPD1SRD5A2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 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-20070054895-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2007-03-08 US disclosed
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 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-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 MAOB 166/4885NR4A2 207/4885SMPD1 3861/4885
US-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 MAOB 166/4885NR4A2 207/4885SMPD1 3861/4885
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG MAOB 85/4885NR4A2 924/4885SMPD1 4198/4885
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 MAOB 166/4885NR4A2 207/4885SMPD1 3861/4885
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations ESR1, ESR2, CYP19A1 MAOB 179/4885NR4A2 181/4885SMPD1 4108/4885
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS BRCA1, ESR2, PKD2 MAOB 1015/4885NR4A2 788/4885SMPD1 4775/4885
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents BRCA1, PKD2, CYP19A1 MAOB 667/4885NR4A2 598/4885SMPD1 4839/4885
US-20070054895-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents ESR2, GPER1, ESR1 MAOB 400/4885NR4A2 74/4885SMPD1 4800/4885

“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.