SCHEMBL767359

SCHEMBL767359

[2H]C([2H])([2H])CC#Cc1ccc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
GRIN2B Q13224 2/20 0.39
CYP4F2 P78329 5/20 0.36
CYP4A11 Q02928 5/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TNKS O95271 2/20 0.34
ATR Q13535 9/20 0.33

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
SCHEMBL767362 0.93 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767026 0.91 RXRA (0.52) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767409 0.86 RXRA (0.52) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767203 0.86 RXRA (0.56) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767267 0.85 RXRA (0.51) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767537 0.85 RXRA (0.51) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767413 0.85 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767482 0.85 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767118 0.85 RXRA (0.53) RXRARXRBRXRGGRIN2BCYP4F2
SCHEMBL767762 0.84 RXRA (0.50) RXRARXRBRXRGGRIN2BCYP4F2

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 16 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
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8455534-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2013-06-04 US 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
US-20130012561-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-01-10 US disclosed
US-8299112-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-8299112-B2 Estrogen receptor modulators and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2012-10-30 US disclosed
US-20120071535-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-20120071535-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 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 (4 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 RXRA 29/4885RXRB 37/4885RXRG 21/4885
US-20120071535-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 RXRA 34/4885RXRB 38/4885RXRG 21/4885
US-20130012561-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 RXRA 34/4885RXRB 38/4885RXRG 21/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 RXRA 34/4885RXRB 38/4885RXRG 21/4885

“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.