SCHEMBL793353

SCHEMBL793353

CC/C(B1OC(C)(C)C(C)(C)O1)=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 18/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ S1PR1 P21453 1/20 0.36
▸ PGR P06401 1/20 0.34
▸ ESR2 Q92731 1/20 0.34

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
SCHEMBL793355 1.00 ESR1 (0.46) ESR1RXRARXRBRXRGS1PR1
SCHEMBL793354 1.00 ESR1 (0.46) ESR1RXRARXRBRXRGS1PR1
SCHEMBL18720914 0.92 RXRA (0.44) ESR1RXRARXRBRXRG
SCHEMBL771229 0.91 RXRA (0.41) ESR1RXRARXRBRXRGS1PR1
SCHEMBL30646348 0.91 RXRA (0.41) ESR1RXRARXRBRXRGS1PR1
SCHEMBL18720908 0.91 RXRA (0.45) ESR1RXRARXRBRXRG
SCHEMBL18720901 0.91 RXRA (0.41) ESR1RXRARXRBRXRGS1PR1
SCHEMBL22656814 0.88 RXRA (0.47) ESR1RXRARXRBRXRG
SCHEMBL22656810 0.88 RXRA (0.47) ESR1RXRARXRBRXRG
SCHEMBL29536400 0.88 RXRA (0.47) ESR1RXRARXRBRXRG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 — — EP disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 — — US disclosed
US-9399646-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2016-07-26 — — US disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 — — EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 — — EP disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
EP-2616445-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2013-07-24 — — EP disclosed
US-8455534-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-20130012561-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-01-10 — — US disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 — — WO disclosed
WO-2012037410-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
WO-2012037410-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 — — WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (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 (3 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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ESR1 4/4885RXRA 29/4885RXRB 37/4885
US-20130012561-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ESR1 4/4885RXRA 34/4885RXRB 38/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ESR1 4/4885RXRA 34/4885RXRB 38/4885

“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.

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