SCHEMBL1658799

SCHEMBL1658799

COc1cc2c(cc1Cl)C1=CC(=O)CCC1(CCF)C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.50
ESR1 P03372 6/20 0.50
MAPK10 P53779 7/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 3/20 0.33
MAPK9 P45984 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPT P10636 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL13816844 0.86 ESR2 (0.52) ESR2ESR1
SCHEMBL5460555 0.77 ESR2 (0.45) ESR2ESR1ALDH1A1HTR2AHTR2C
SCHEMBL4732373 0.77 ESR2 (0.45) ESR2ESR1ALDH1A1HTR2AHTR2C
SCHEMBL4782328 0.77 ESR2 (0.45) ESR2ESR1ALDH1A1HTR2AHTR2C
SCHEMBL10529811 0.71 ESR2 (0.54) ESR2ESR1MEN1ALDH1A1KMT2A
SCHEMBL10658524 0.70 ESR2 (0.45) ESR2ESR1MEN1ALDH1A1KMT2A
SCHEMBL11111816 0.68 ESR2 (0.52) ESR2ESR1MEN1ALDH1A1KMT2A
SCHEMBL2411976 0.68 ESR2 (0.53) ESR2ESR1
SCHEMBL1657131 0.67 BACE1 (0.41) MAPK10MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2422946 0.67 ESR2 (0.73) ESR2ESR1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827421-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
EP-1827421-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
EP-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
EP-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 US disclosed
EP-1827421-A2 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-09-05 EP disclosed
EP-1819656-A2 SYNTHESIS OF 1,5-DISTRIBUTED-2-HYDROXY-GIBBATETRAEN-6-ONES Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2007089291-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089291-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
EP-1809594-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-25 EP disclosed
US-7151196-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-12-19 US disclosed
WO-2006062876-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-06-15 WO disclosed
WO-2006050399-A2 SYNTHESIS OF 1,5-DISUBSTITUTED-2-HYDROXY-GIBBATETRAEN-6-ONES MERCK & CO., INC. (US) 2006-05-11 WO disclosed
WO-2006050402-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-05-11 WO disclosed
US-20060094779-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2006-05-04 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-20060094779-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR2 2/4885ESR1 6/4885MAPK10 736/4885
US-20100168188-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA ESR2 1/4885ESR1 5/4885MAPK10 664/4885

“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.