SCHEMBL806206

SCHEMBL806206

CCOC(=O)/C=C/c1ccc(/C(=C(/CC)c2ccc(OCCO)cc2)c2ccc3c(cnn3C3CCCCO3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.44
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ HDAC3 O15379 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MGLL Q99685 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 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
SCHEMBL806447 0.94 ESR1 (0.43) ESR1RXRARXRBRXRGHDAC3
SCHEMBL15226624 0.92 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL15226621 0.92 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL15226622 0.92 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL15226623 0.92 ESR1 (0.53) ESR1RXRARXRBRXRG
SCHEMBL5019877 0.90 ESR1 (0.47) ESR1RXRARXRBRXRGHDAC3
SCHEMBL770766 0.90 ESR1 (0.55) ESR1RXRARXRBRXRGMGLL
SCHEMBL15236144 0.89 ESR1 (0.47) ESR1RXRARXRBRXRGMGLL
SCHEMBL30646346 0.89 ESR1 (0.44) ESR1RXRARXRBRXRGMGLL
SCHEMBL771216 0.89 ESR1 (0.44) ESR1RXRARXRBRXRGMGLL

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 10 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-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
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
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 — — US disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 — — 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 (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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 ESR1 4/4885RXRA 29/4885RXRB 37/4885
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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