SCHEMBL771976

SCHEMBL771976

COC[C@@H]1C[C@@H]2[C@H](CCC3[C@H]2CC[C@@H]3O)c2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 1.00
ESR2 Q92731 3/20 1.00
CYP19A1 P11511 15/20 0.43
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL773924 1.00 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL12544455 1.00 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL773684 0.88 ESR1 (0.84) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL18798687 0.88 ESR1 (0.84) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL771815 0.88 ESR1 (0.78) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL795566 0.86 ESR1 (0.76) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL772878 0.85 ESR1 (0.98) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL773134 0.85 ESR1 (0.74) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL773605 0.85 ESR1 (0.73) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL773485 0.84 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636348-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2017-05-02 US claimed
EP-2616477-B1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS ENDECE LLC (US) 2016-11-09 EP claimed
US-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons ENDECE LLC 2016-09-29 US claimed
US-9422324-B2 6-substituted demethyl-estradiol derivatives as selective ER-β agonists ENDECE LLC (US) 2016-08-23 US claimed
US-9364486-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2016-06-14 US claimed
EP-2688570-B1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE LLC (US) 2015-11-18 EP claimed
US-20150265630-A1 6-Substituted Estradiol Derivatives for the Treatment of Alzheimer's Disease ENDECE LLC 2015-09-24 US claimed
US-20140315874-A1 6-Substituted Demethyl-Estradiol Derivatives as Selective ER-Beta Agonists ENDECE, LLC 2014-10-23 US claimed
US-20120071455-A1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS SELECTIVE ER-BETA AGONISTS ENDECE, LLC 2012-03-22 US claimed
US-20230097440-A1 METHODS FOR MODULATION OF LIPOPROTEIN LIPASE AND APOLIPOPROTEIN C2 EXPRESSION AND/OR ACTIVITY IN THE TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM TISSUE DISEASE STATES ENDECE LLC 2023-03-30 US disclosed
US-20210024568-A1 METHODS FOR MODULATION OF LIPOPROTEIN LIPASE AND APOLIPOPROTEIN C2 EXPRESSION AND/OR ACTIVITY IN THE TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM TISSUE DISEASE STATES ENDECE LLC 2021-01-28 US disclosed
US-9636348-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2017-05-02 US disclosed
US-9636348-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2017-05-02 US disclosed
US-9636348-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2017-05-02 US disclosed
US-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE, LLC 2012-09-27 US disclosed
US-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE, LLC 2012-09-27 US disclosed
US-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE, LLC 2012-09-27 US disclosed
WO-2012129324-A2 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE LLC (US) 2012-09-27 WO disclosed
US-20120071455-A1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS SELECTIVE ER-BETA AGONISTS ENDECE, LLC 2012-03-22 US disclosed
WO-2012037261-A2 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS ENDECE, LLC (US) 2012-03-22 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 (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-20140315874-A1 6-Substituted Demethyl-Estradiol Derivatives as Selective ER-Beta Agonists ESR2, ESR1, ESRRG ESR1 2/4885ESR2 1/4885CYP19A1 8/4885
US-20230097440-A1 METHODS FOR MODULATION OF LIPOPROTEIN LIPASE AND APOLIPOPROTEIN C2 EXPRESSION AND/OR ACTIVITY IN THE TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM TISSUE DISEASE STATES LPL, LIPE, PMP22 ESR1 623/4885ESR2 59/4885CYP19A1 236/4885
US-20150265630-A1 6-Substituted Estradiol Derivatives for the Treatment of Alzheimer's Disease HSD17B11, ESR2, PSEN2 ESR1 13/4885ESR2 2/4885CYP19A1 5/4885
US-20120071455-A1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS SELECTIVE ER-BETA AGONISTS ESR2, ESR1, ESRRG ESR1 2/4885ESR2 1/4885CYP19A1 8/4885
US-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons PMP22, GAP43, MAG ESR1 199/4885ESR2 13/4885CYP19A1 59/4885
US-20210024568-A1 METHODS FOR MODULATION OF LIPOPROTEIN LIPASE AND APOLIPOPROTEIN C2 EXPRESSION AND/OR ACTIVITY IN THE TREATMENT OF PERIPHERAL AND CENTRAL NERVOUS SYSTEM TISSUE DISEASE STATES LPL, LIPE, PMP22 ESR1 623/4885ESR2 59/4885CYP19A1 236/4885
US-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS PMP22, GAP43, MAG ESR1 199/4885ESR2 13/4885CYP19A1 59/4885

“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.