SCHEMBL772878

SCHEMBL772878

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

nearest known ligand 0.98

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.98
ESR2 Q92731 3/20 0.98
CYP19A1 P11511 16/20 0.48
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL773485 0.99 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL774077 0.99 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL2842289 0.99 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL18798687 0.92 ESR1 (0.84) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL773684 0.92 ESR1 (0.84) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL774922 0.89 ESR1 (0.83) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL774385 0.89 ESR1 (0.79) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL20626550 0.89 ESR1 (0.79) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL12544455 0.85 ESR1 (1.00) ESR1ESR2CYP19A1LMNAMAPK1
SCHEMBL771976 0.85 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616477-B1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS ENDECE LLC (US) 2016-11-09 EP claimed
US-9422324-B2 6-substituted demethyl-estradiol derivatives as selective ER-β agonists ENDECE LLC (US) 2016-08-23 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
EP-2616477-B1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS ER-BETA AGONISTS ENDECE LLC (US) 2016-11-09 EP disclosed
US-20120071455-A1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS SELECTIVE ER-BETA AGONISTS ENDECE, LLC 2012-03-22 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 (2 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-20120071455-A1 6-SUBSTITUTED DEMETHYL-ESTRADIOL DERIVATIVES AS SELECTIVE ER-BETA AGONISTS ESR2, ESR1, ESRRG ESR1 2/4885ESR2 1/4885CYP19A1 8/4885

“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.