SCHEMBL1821303

SCHEMBL1821303

CC1=C(c2ccc(OC(=O)C(C)(C)C)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(OC(=O)C(C)(C)C)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 1.00
ESR2 Q92731 15/20 1.00

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
SCHEMBL29354115 1.00 ESR1 (1.00) ESR1ESR2
SCHEMBL27499 1.00 ESR1 (1.00) ESR1ESR2
SCHEMBL7058506 0.99 ESR1 (0.98) ESR1ESR2
SCHEMBL7056839 0.97 ESR1 (0.94) ESR1ESR2
SCHEMBL7056486 0.95 ESR1 (0.91) ESR1ESR2
SCHEMBL6259524 0.92 ESR1 (0.84) ESR1ESR2
SCHEMBL28107129 0.92 ESR1 (0.84) ESR1ESR2
SCHEMBL2898159 0.92 ESR1 (0.84) ESR1ESR2
SCHEMBL21571869 0.91 ESR1 (0.83) ESR1ESR2
SCHEMBL6294980 0.90 ESR1 (0.81) 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
EP-1165061-B1 USE OF COMPOUND PREPARATION MADE OF VITAMIN D METABOLITES OR VITAMIN D ANALOGUES AND PARTIAL ESTROGEN AGONISTS FOR TREATING OSTEOPOROSIS SCHERING AG (DE) 2005-10-19 EP claimed
US-20190201526-A1 Methods and Compositions for Treating Cancers by Inhibiting Estrogen Signaling in Myeloid-Derived Suppressor Cells WISTAR INST (US) 2019-07-04 US disclosed
WO-2018049042-A1 METHODS AND COMPOSITIONS FOR TREATING CANCERS BY INHIBITING ESTROGEN SIGNALING IN MYELOID-DERIVED SUPPRESSOR CELLS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-03-15 WO disclosed
US-8835413-B2 Sex steroid precursors alone or in combination with a selective estrogen receptor modulator and/or with estrogens and/or a type 5 cGMP phosphodiesterase inhibitor for the prevention and treatment of vaginal dryness and sexual dysfunction in postmenopausal women ENDORECHERCHE, INC. (CA) 2014-09-16 US disclosed
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
US-8394813-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2013-03-12 US disclosed
US-8389548-B2 Administering an estrogen receptor for treatment of osteoporosis, breast cancer, hypercholesteremia, hyperlipidemia or artheriosclerosis by administering estrogen modulators ENDORECHERCHE, INC. (CA) 2013-03-05 US disclosed
US-8188066-B2 Administering an estrogen receptor for treatment of osteoporosis, breast cancer, hypercholesteremia, hyperlipidemia or artheriosclerosis by administering estrogen modulators ENDORECHERCHE, INC. (CA) 2012-05-29 US disclosed
US-7943603-B2 Medical treatment for conditions such as osteoporosis or breast cancer ENDORECHERCHE, INC. (CA) 2011-05-17 US disclosed
US-7943603-B2 Medical treatment for conditions such as osteoporosis or breast cancer ENDORECHERCHE, INC. (CA) 2011-05-17 US disclosed
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS SHIRE LLC (US) 2009-10-08 US disclosed
US-7429576-B2 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. (CA) 2008-09-30 US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 US disclosed
US-7427600-B2 Active agent delivery systems and methods for protecting and administering active agents SHIRE LLC (US) 2008-09-23 US disclosed
US-20070270394-A1 Sex steroid precursor alone or in combination with a selective estrogen receptor modulator and/or with estrogens and/or a type 5 cGMP phosphodiesterase inhibitor for the prevention and treatment of vaginal dryness and sexual dysfunction in postmenopausal women ENDORECHERCHE, INC. 2007-11-22 US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 US disclosed
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage NEW RIVER PHARMACEUTICALS INC. (US) 2007-10-04 US disclosed
US-20070027122-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. 2007-02-01 US disclosed
US-20070027123-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. 2007-02-01 US disclosed
US-20070027124-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ENDORECHERCHE, INC. 2007-02-01 US 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 (7 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-20070027124-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ESRRA, ESR2, ESRRG ESR1 7/4885ESR2 2/4885
US-20090253792-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS HDGF, CTSA, IAPP ESR1 1993/4885ESR2 1524/4885
US-20070270394-A1 Sex steroid precursor alone or in combination with a selective estrogen receptor modulator and/or with estrogens and/or a type 5 cGMP phosphodiesterase inhibitor for the prevention and treatment of vaginal dryness and sexual dysfunction in postmenopausal women PDE5A, PDE3A, PDE2A ESR1 9/4885ESR2 18/4885
US-20070027123-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ESRRA, ESR2, ESRRG ESR1 7/4885ESR2 2/4885
US-20190201526-A1 Methods and Compositions for Treating Cancers by Inhibiting Estrogen Signaling in Myeloid-Derived Suppressor Cells ESRRG, ESR2, ESRRB ESR1 6/4885ESR2 2/4885
US-20070027122-A1 Medical uses of a selective estrogen receptor modulator in combination with sex steroid precursors ESRRA, ESR2, ESRRG ESR1 7/4885ESR2 2/4885
US-20070232529-A1 mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage VIP, BST2, FCGR3B ESR1 3363/4885ESR2 3509/4885

“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.