SCHEMBL4156656

SCHEMBL4156656

COc1cccc(-c2[nH]c3ccc(OCc4ccccc4)cc3c2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
MAOA P21397 2/20 0.53
ALOX5 P09917 1/20 0.52
DYRK1B Q9Y463 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BRD4 O60885 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 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
SCHEMBL4155076 0.95 TRPM8 (0.54) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL4155146 0.90 TRPM8 (0.53) MAOBMAOAALOX5DYRK1BTRPM8
SCHEMBL4151637 0.89 TRPM8 (0.57) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL12939127 0.88 BRD4 (0.49) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL7799112 0.88 TRPM8 (0.52) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL102598 0.86 TRPM8 (0.56) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL29652545 0.86 TRPM8 (0.56) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL4144092 0.84 MAPT (0.49) MAOBMAOAALOX5TRPM8MEN1
SCHEMBL4156633 0.83 TRPM8 (0.54) MAOBMAOATRPM8KDM4EMAPT
SCHEMBL4147028 0.83 TLR9 (0.49) MAOBMAOAALOX5TRPM8MEN1

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 40 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-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-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 (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 MAOB 454/4885MAOA 262/4885ALOX5 375/4885
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 MAOB 166/4885MAOA 168/4885ALOX5 482/4885
US-20120252769-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 MAOB 166/4885MAOA 168/4885ALOX5 482/4885
US-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 MAOB 166/4885MAOA 168/4885ALOX5 482/4885
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 MAOB 166/4885MAOA 168/4885ALOX5 482/4885
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations ESR1, ESR2, CYP19A1 MAOB 179/4885MAOA 176/4885ALOX5 555/4885
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS BRCA1, ESR2, PKD2 MAOB 1015/4885MAOA 1358/4885ALOX5 624/4885
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents BRCA1, PKD2, CYP19A1 MAOB 667/4885MAOA 1037/4885ALOX5 756/4885

“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.