SCHEMBL4602048

SCHEMBL4602048

COc1cccc(C2CCc3cc(OC)ccc3C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.56
CRBN Q96SW2 1/20 0.56
CYP19A1 P11511 4/20 0.53
CYP24A1 Q07973 6/20 0.53
CYP27A1 Q02318 3/20 0.53
CYP26A1 O43174 3/20 0.52
GID4 Q8IVV7 1/20 0.50
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL15012600 0.92 GID4 (0.61) DDB1CRBNCYP19A1CYP24A1CYP27A1
SCHEMBL15874767 0.90 CYP24A1 (0.60) CYP19A1CYP24A1CYP27A1CYP26A1DRD2
SCHEMBL4366122 0.90 CYP24A1 (0.60) CYP19A1CYP24A1CYP27A1CYP26A1DRD2
SCHEMBL9144496 0.89 CYP19A1 (0.60) DDB1CRBNCYP19A1GID4MEN1
SCHEMBL15874602 0.89 CYP19A1 (0.60) DDB1CRBNCYP19A1GID4MEN1
SCHEMBL6669546 0.87 CYP24A1 (0.53) DDB1CRBNCYP19A1CYP24A1CYP27A1
SCHEMBL6286139 0.86 CYP19A1 (0.55) DDB1CRBNCYP19A1GID4MEN1
SCHEMBL8870256 0.84 CYP19A1 (0.60) CYP19A1CYP24A1CYP27A1CYP26A1DRD2
SCHEMBL15263592 0.83 GID4 (0.50) DDB1CRBNCYP19A1CYP24A1CYP27A1
SCHEMBL10593732 0.83 CYP24A1 (0.52) DDB1CRBNCYP19A1CYP24A1CYP27A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200507-A1 Crystalline Non-Solvated Methanesulfonic Acid Salt of 1-(4-(2-Piperidinylethoxy)Phenoxy)-2-(3-Hydroxyphenyl)-6-Hydroxynaphthalene ELI LILLY AND COMPANY 2008-08-21 US disclosed
EP-1912962-A2 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE ELI LILLY AND COMPANY (US) 2008-04-23 EP disclosed
WO-2007016139-A2 CRYSTALLINE NON-SOLVATED METHANESULFONIC ACID SALT OF 1-(4-(2-PIPERIDINYLETHOXY)PHENOXY)-2-(3-HYDROXYPHENYL)-6-HYDROXYNAPHTHALENE ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
US-7105541-B2 Naphthyl compounds, intermediates, compositions, and methods of use ELI LILLY AND COMPANY (US) 2006-09-12 US disclosed
US-20050054632-A1 Naphthyl compounds, intermediates, compositions, and methods of use BRYANT HENRY UHLMAN (US) 2005-03-10 US disclosed
US-6812244-B2 POSTMENOPAUSAL OSTEOPOROSIS ELI LILLY AND COMPANY 2004-11-02 US disclosed
US-20040072820-A1 Naphthyl compounds, intermediates, compositions, and methods of use BRYANT HENRY UHLMAN (US) 2004-04-15 US disclosed
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-6593345-B1 Inhibiting bone loss or bone resorption comprising administering to a patient in need thereof an effective amount of a compound of claim 1, or a pharmaceutically acceptable salt or solvate, and anticholesterol agents ELI LILLY AND COMPANY 2003-07-15 US disclosed
EP-0826679-B1 Naphthyl compounds and compositions LILLY CO ELI (US) 2001-11-21 EP disclosed
US-5929090-A NOVEL COMPOUNDS FOR TREATING ESTROGEN DEPRIVATION CAUSED BY MENOPAUSE OR OVARIECTOMY; TREATING OSTEOPOROSIS, CARDIOVASCULAR DISEASES, AND ENDOMETRIOSIS ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0835868-A1 2-Aryl-3-aminoaryloxynaphthyl compounds, intermediates, compositions and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed
WO-1998008797-A1 NAPHTHYL COMPOUNDS, INTERMEDIATES, COMPOSITIONS, AND METHODS OF USE ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0826679-A2 Naphthyl compounds, intermediates, compositions, and method of use ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 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 (3 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-20040072820-A1 Naphthyl compounds, intermediates, compositions, and methods of use SQLE, NQO1, CYP3A43 DDB1 3992/4885CRBN 2132/4885CYP19A1 191/4885
US-20080200507-A1 Crystalline Non-Solvated Methanesulfonic Acid Salt of 1-(4-(2-Piperidinylethoxy)Phenoxy)-2-(3-Hydroxyphenyl)-6-Hydroxynaphthalene MPHOSPH6, HCN2, HCN1 DDB1 3398/4885CRBN 2367/4885CYP19A1 4622/4885
US-20050054632-A1 Naphthyl compounds, intermediates, compositions, and methods of use SQLE, NQO1, CYP3A43 DDB1 3992/4885CRBN 2132/4885CYP19A1 191/4885

“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.