SCHEMBL806083

SCHEMBL806083

C[C@]12CCC3c4ccc(OC5CCCCO5)cc4C(CO)CC3C1CC[C@@H]2OC1CCCCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
ESR1 P03372 4/20 0.42
ESR2 Q92731 1/20 0.42
CYP19A1 P11511 8/20 0.40
MAPT P10636 4/20 0.37
CYP3A4 P08684 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
PDE3A Q14432 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20626551 1.00 HSD11B1 (0.56) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL20626553 1.00 HSD11B1 (0.56) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL14190664 1.00 HSD11B1 (0.56) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL6345133 1.00 HSD11B1 (0.56) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL6343327 1.00 HSD11B1 (0.56) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL20626528 0.91 HSD11B1 (0.53) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL20626552 0.91 HSD11B1 (0.53) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL6346483 0.91 HSD11B1 (0.53) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL806080 0.91 HSD11B1 (0.53) HSD11B1ESR1ESR2CYP19A1MAPT
SCHEMBL20626554 0.91 HSD11B1 (0.53) HSD11B1ESR1ESR2CYP19A1MAPT

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 23 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 disclosed
EP-2616477-B1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS ENDECE LLC (US) 2016-11-09 EP disclosed
US-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons ENDECE LLC 2016-09-29 US disclosed
EP-2099460-B1 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE LLC (US) 2016-09-07 EP disclosed
US-9422324-B2 6-substituted demethyl-estradiol derivatives as selective ER-β agonists ENDECE LLC (US) 2016-08-23 US disclosed
EP-2507253-B1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE LLC (US) 2016-03-30 EP disclosed
EP-2688570-B1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE LLC (US) 2015-11-18 EP disclosed
WO-2015143201-A2 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ENDECE LLC (US) 2015-09-24 WO disclosed
US-20150265630-A1 6-Substituted Estradiol Derivatives for the Treatment of Alzheimer's Disease ENDECE LLC 2015-09-24 US disclosed
US-20140315874-A1 6-Substituted Demethyl-Estradiol Derivatives as Selective ER-Beta Agonists ENDECE, LLC 2014-10-23 US disclosed
US-8168621-B2 6-substituted estradiol derivatives and methods of use ENDECE, LLC (US) 2012-05-01 US 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
WO-2011066542-A2 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE INC. (US) 2011-06-03 WO disclosed
US-20100130463-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2010-05-27 US disclosed
WO-2009149176-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC (US) 2009-12-10 WO disclosed
US-20080312202-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2008-12-18 US disclosed
US-20080312202-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2008-12-18 US disclosed
WO-2008067450-A2 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC (US) 2008-06-05 WO disclosed
US-20080119447-A1 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE LLC 2008-05-22 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-20080312202-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE SHBG, NR5A1, SULT2A1 HSD11B1 125/4885ESR1 26/4885ESR2 13/4885
US-20140315874-A1 6-Substituted Demethyl-Estradiol Derivatives as Selective ER-Beta Agonists ESR2, ESR1, ESRRG HSD11B1 302/4885ESR1 2/4885ESR2 1/4885
US-20080119447-A1 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE SHBG, HSD17B11, ESRRA HSD11B1 49/4885ESR1 4/4885ESR2 6/4885
US-20150265630-A1 6-Substituted Estradiol Derivatives for the Treatment of Alzheimer's Disease HSD17B11, ESR2, PSEN2 HSD11B1 78/4885ESR1 13/4885ESR2 2/4885
US-20120071455-A1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS SELECTIVE ER-BETA AGONISTS ESR2, ESR1, ESRRG HSD11B1 302/4885ESR1 2/4885ESR2 1/4885
US-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons PMP22, GAP43, MAG HSD11B1 833/4885ESR1 199/4885ESR2 13/4885
US-20100130463-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE NR3C2, SHBG, ESR2 HSD11B1 48/4885ESR1 17/4885ESR2 3/4885

“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.