SCHEMBL5309602

SCHEMBL5309602

Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.58
ESR2 Q92731 14/20 0.58
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA12 O43570 1/20 0.53
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CYP17A1 P05093 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
XDH P47989 1/20 0.39
PFKFB3 Q16875 1/20 0.39

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
SCHEMBL7104820 0.85 ESR1 (0.58) ESR1ESR2CA1CA2CA9
SCHEMBL2368215 0.78 CYP3A4 (0.55) ESR1ESR2CYP3A4
SCHEMBL5252597 0.77 ESR1 (0.59) ESR1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL23191190 0.75 CYP3A4 (0.52) ESR1ESR2CYP3A4
SCHEMBL4449848 0.74 ESR1 (0.57) ESR1ESR2CA1CA2CA9
SCHEMBL3933824 0.73 ESR1 (1.00) ESR1ESR2
SCHEMBL28121322 0.72 AHR (0.59) ESR1ESR2CA1CA2CA9
SCHEMBL9721304 0.71 ALOX5 (0.48) ESR1ESR2CA12CA4CA7
SCHEMBL3925608 0.71 ESR1 (1.00) ESR1ESR2
SCHEMBL3924972 0.69 ESR1 (1.00) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US claimed
EP-1835895-A2 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINTIY TO ER ALPHA OR BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS Aventis Pharmaceuticals Inc. (US) 2007-09-26 EP claimed
WO-2006073714-A2 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINTIY TO ER ALPHA OR BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2006-07-13 WO claimed
US-20020156324-A1 BIPHENYL COMPOUNDS AND THEIR USE AS OESTROGENIC AGENTS AVENTIS PHARMA S.A. 2002-10-24 US claimed
US-6448294-B1 SUCH AS 1,5-DICHORO- OR 5-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL) SUBSTITUTED -6-(4-HYDROXYPHENYL)-2-NAPHTHALENOLS; ANTIUTERO-TROPHIC AND REPLACEMENT TREATMENT OF SYMPTOMS LINKED TO MENOPAUSE PARTICULARLY OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2002-09-10 US claimed
EP-0880496-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2002-05-29 EP claimed
US-6147119-A TREATING HYPOFOLLICULINIA DISORDERS; ANTICARCINOGENIC, ANTIMETASTASIS AND ANTITUMOR AGENTS; PREMENSTRUAL TENSION, MENOPAUSE, OSTEOPOROSIS HOECHST MARION ROUSSEL (FR) 2000-11-14 US claimed
EP-0880496-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-12-02 EP claimed
WO-1997028116-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO claimed
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US disclosed
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US disclosed
US-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS AVENTIS PHARMACEUTICALS INC. (US) 2007-09-27 US disclosed
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 US disclosed
CN-1738788-A Substituted phenylnaphthalenes as estrogenic agents WYETH CORP (US) 2006-02-22 CN disclosed
US-6448294-B1 SUCH AS 1,5-DICHORO- OR 5-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL) SUBSTITUTED -6-(4-HYDROXYPHENYL)-2-NAPHTHALENOLS; ANTIUTERO-TROPHIC AND REPLACEMENT TREATMENT OF SYMPTOMS LINKED TO MENOPAUSE PARTICULARLY OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
EP-0880496-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2002-05-29 EP disclosed
US-6365775-B1 ANTIUTEROTROPHIC; TREATMENTS OF SYMPTOMS RELATED TO MENOPAUSE AND PREMENSTRAL SYNDRONE AVENTIS PHARMA S.A. (FR) 2002-04-02 US disclosed
US-6147119-A TREATING HYPOFOLLICULINIA DISORDERS; ANTICARCINOGENIC, ANTIMETASTASIS AND ANTITUMOR AGENTS; PREMENSTRUAL TENSION, MENOPAUSE, OSTEOPOROSIS HOECHST MARION ROUSSEL (FR) 2000-11-14 US disclosed
EP-0880496-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-12-02 EP disclosed
WO-1997028116-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO 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 (2 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-20070225330-A1 USE OF CERTAIN PHENYL-NAPHTHYL COMPOUNDS THAT DO NOT HAVE SIGNIFICANT AFFINITY TO ER ALPHA OR ER BETA FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS ESR2, ESRRG, ESRRB ESR1 4/4885ESR2 1/4885CA1 2774/4885
US-20020156324-A1 BIPHENYL COMPOUNDS AND THEIR USE AS OESTROGENIC AGENTS SHBG, ESR2, CYP19A1 ESR1 5/4885ESR2 2/4885CA1 877/4885

“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.