SCHEMBL2841485

SCHEMBL2841485

CCCOCCCC[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)C(O)CC[C@@H]23)c2ccc(O)cc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.81
ESR1 P03372 6/20 0.69
ESR2 Q92731 4/20 0.69
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC22A1 O15245 1/20 0.52
AKR1B10 O60218 1/20 0.52
SLC22A3 O75751 1/20 0.52
ABCB11 O95342 1/20 0.52
ESRRB O95718 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL12574644 1.00 CYP19A1 (0.81) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL20626542 0.99 CYP19A1 (0.80) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL12574723 0.96 CYP19A1 (0.85) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL22925322 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL18798668 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL12544797 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL2840052 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL20990401 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL18104337 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2
SCHEMBL12690918 0.92 CYP19A1 (0.78) CYP19A1ESR1ESR2LMNASMN1; SMN2

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-10723757-B2 6-substituted estradiol derivatives and methods of use ENDECE LLC (US) 2020-07-28 US claimed
US-20190135853-A1 6-Substituted Estradiol Derivatives and Methods of Use ENDECE LLC 2019-05-09 US claimed
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-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE, LLC 2012-09-27 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-9364486-B2 6-substituted estradiol derivatives for use in remyelination of nerve axons ENDECE LLC (US) 2016-06-14 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
US-20150265630-A1 6-Substituted Estradiol Derivatives for the Treatment of Alzheimer's Disease ENDECE LLC 2015-09-24 US disclosed
US-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS ENDECE, LLC 2012-09-27 US disclosed
US-20100130463-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE ENDECE, LLC 2010-05-27 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 (9 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-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-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-20120245131-A1 6-SUBSTITUTED ESTRADIOL DERIVATIVES FOR USE IN REMYELINATION OF NERVE AXONS PMP22, GAP43, MAG CYP19A1 59/4885ESR1 199/4885ESR2 13/4885
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.