SCHEMBL5413171

SCHEMBL5413171

Brc1c(OC2CCCCO2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP4F2 P78329 5/20 0.34
▸ CYP4A11 Q02928 5/20 0.34
▸ PDE4B Q07343 2/20 0.31
▸ ATR Q13535 5/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL5418094 0.86 RXRA (0.42) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL30064825 0.86 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL19617703 0.86 RXRA (0.41) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL25428423 0.85 RXRA (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL23043131 0.85 RXRA (0.39) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL20439334 0.84 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5407927 0.84 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5417592 0.84 RXRA (0.40) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5409247 0.84 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA
SCHEMBL5413130 0.84 RXRA (0.38) RXRARXRBRXRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303326-B1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-12-16 — — EP disclosed
EP-3303326-B1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-12-16 — — EP disclosed
CN-107531722-B Heterocyclic estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2020-07-17 — — CN disclosed
US-10053451-B2 Heterocyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-08-21 — — US disclosed
EP-3303326-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-04-11 — — EP disclosed
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-01 — — US disclosed
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-01 — — US disclosed
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-01 — — US disclosed
WO-2016189011-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-12-01 — — WO disclosed
WO-2016189011-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-12-01 — — WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA RXRA 1096/4885RXRB 1324/4885RXRG 1147/4885
US-10053451-B2 Heterocyclic estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRG RXRA 47/4885RXRB 48/4885RXRG 39/4885
US-20160347742-A1 HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESRRG RXRA 47/4885RXRB 48/4885RXRG 39/4885

“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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