SCHEMBL2842300

SCHEMBL2842300

C[C@]12CC[C@@H]3c4ccc(O)cc4[C@@H](CO)C[C@H]3[C@@H]1CCC2O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.78
ESR1 P03372 8/20 0.78
ESR2 Q92731 5/20 0.78
LMNA P02545 5/20 0.74
MAPK1 P28482 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
HSD17B10 Q99714 3/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
SLC22A1 O15245 1/20 0.61
AKR1B10 O60218 1/20 0.61
SLC22A3 O75751 1/20 0.61
ABCB11 O95342 1/20 0.61
ESRRB O95718 1/20 0.61

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
SCHEMBL795604 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL6346289 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL2846408 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL12544534 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL6346280 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL28116449 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL796194 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL795609 1.00 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL16480227 0.91 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNAMAPK1
SCHEMBL14190685 0.88 CYP19A1 (0.62) CYP19A1ESR1ESR2LMNAMAPK1

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 31 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
US-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons ENDECE LLC 2016-09-29 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-20100130463-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2010-05-27 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-10723757-B2 6-substituted estradiol derivatives and methods of use ENDECE LLC (US) 2020-07-28 US disclosed
US-20190135853-A1 6-Substituted Estradiol Derivatives and Methods of Use ENDECE LLC 2019-05-09 US disclosed
US-10174070-B2 6-substituted estradiol derivatives and methods of use ENDECE LLC (US) 2019-01-08 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-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons ENDECE LLC 2016-09-29 US disclosed
US-8168621-B2 6-substituted estradiol derivatives and methods of use ENDECE, LLC (US) 2012-05-01 US disclosed
US-20100130463-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2010-05-27 US 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
US-20080312202-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2008-12-18 US disclosed
US-20080119447-A1 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE LLC 2008-05-22 US 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 (10 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-10723757-B2 6-substituted estradiol derivatives and methods of use SHBG, HSD17B11, CYP19A1 CYP19A1 3/4885ESR1 5/4885ESR2 4/4885
US-20190135853-A1 6-Substituted Estradiol Derivatives and Methods of Use SHBG, HSD17B11, CYP19A1 CYP19A1 3/4885ESR1 5/4885ESR2 4/4885
US-20080312202-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE SHBG, NR5A1, SULT2A1 CYP19A1 30/4885ESR1 26/4885ESR2 13/4885
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 CYP19A1 236/4885ESR1 623/4885ESR2 59/4885
US-20080119447-A1 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE SHBG, HSD17B11, ESRRA CYP19A1 8/4885ESR1 4/4885ESR2 6/4885
US-20150265630-A1 6-Substituted Estradiol Derivatives for the Treatment of Alzheimer's Disease HSD17B11, ESR2, PSEN2 CYP19A1 5/4885ESR1 13/4885ESR2 2/4885
US-10174070-B2 6-substituted estradiol derivatives and methods of use NR3C2, SHBG, NR5A1 CYP19A1 51/4885ESR1 17/4885ESR2 5/4885
US-20160279144-A1 6-Substituted Estradiol Derivatives for Use in Remyelination of Nerve Axons PMP22, GAP43, MAG CYP19A1 59/4885ESR1 199/4885ESR2 13/4885
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 CYP19A1 236/4885ESR1 623/4885ESR2 59/4885
US-20100130463-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE NR3C2, SHBG, ESR2 CYP19A1 50/4885ESR1 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.