Sugi Predict

Sugi Predict / Compounds / SCHEMBL4447857

SCHEMBL4447857

SCHEMBL4447857

Cc1c(-c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(OCCO)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 20/20 0.61
▸ ESR2 Q92731 2/20 0.56
▸ MLNR O43193 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ NR3C1 P04150 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ DRD1 P21728 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ OPRM1 P35372 1/20 0.56

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
SCHEMBL4149338 0.97 ESR1 (0.59) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4143356 0.96 ESR1 (0.60) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4156748 0.96 ESR1 (0.60) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4143432 0.95 ESR1 (0.60) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL12939117 0.94 ESR1 (0.59) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4159903 0.93 ESR1 (0.61) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4157994 0.93 ESR1 (0.62) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL30782456 0.92 ESR1 (0.57) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4160287 0.92 ESR1 (0.58) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL14324257 0.92 ESR1 (0.66) ESR1ESR2MLNRABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569483-B2 Process for the preparation of bazedoxifene acetate and intermediates thereof Divi's Laboratories, Ltd. (IN) 2013-10-29 — — US claimed
US-20120330008-A1 NOVEL PROCESS FOR THE PREPARATION OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF DIVI'S LABORATORIES LIMITED (IN) 2012-12-27 — — US claimed
EP-2791133-B1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2019-04-17 — — EP disclosed
EP-2791133-B1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS INC (US) 2019-04-17 — — EP disclosed
US-9193714-B2 Fluorinated estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-11-24 — — US disclosed
US-20150005286-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2015-01-01 — — US disclosed
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 — — US disclosed
EP-2791133-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2014-10-22 — — EP disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 — — US disclosed
US-8815934-B2 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH LLC (US) 2014-08-26 — — US disclosed
WO-2013090836-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 — — WO disclosed
US-20030130274-A1 2-Phenyl-1-[4-(2-aminoethoxy)benzyl-indoles as estrogenic agents WYETH 2003-07-10 — — 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-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-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 (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-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ESR1 2/4885ESR2 1/4885MLNR 1321/4885
US-20120330008-A1 NOVEL PROCESS FOR THE PREPARATION OF BAZEDOXIFENE ACETATE AND INTERMEDIATES THEREOF CYP19A1, HSD17B11, SULT1E1 ESR1 37/4885ESR2 16/4885MLNR 1768/4885
US-20030130274-A1 2-Phenyl-1-[4-(2-aminoethoxy)benzyl-indoles as estrogenic agents ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MLNR 1976/4885
US-20150005286-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GPER1, ESR2, ESRRG ESR1 4/4885ESR2 2/4885MLNR 162/4885

“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.