SCHEMBL2419980

SCHEMBL2419980

COc1ccc2c(c1)CC1(CCO)CCC(=O)C(C)=C21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.60
ESR1 P03372 18/20 0.60
PRNP P04156 1/20 0.46

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
SCHEMBL14339932 0.90 ESR2 (0.71) ESR2ESR1
SCHEMBL2418485 0.89 ESR2 (0.57) ESR2ESR1PRNP
SCHEMBL2418445 0.88 ESR2 (0.72) ESR2ESR1
SCHEMBL6862469 0.87 ESR2 (0.55) ESR2ESR1PRNP
SCHEMBL2422182 0.86 ESR2 (0.55) ESR2ESR1PRNP
SCHEMBL2417755 0.85 ESR2 (0.53) ESR2ESR1PRNP
SCHEMBL14524720 0.82 ESR2 (0.73) ESR2ESR1
SCHEMBL6860520 0.79 ESR2 (0.50) ESR2ESR1PRNP
SCHEMBL6861853 0.79 ESR2 (0.56) ESR2ESR1PRNP
SCHEMBL2422236 0.78 ESR2 (0.67) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones MERCK & CO., INC. 2007-12-20 US disclosed
EP-1819656-A2 SYNTHESIS OF 1,5-DISTRIBUTED-2-HYDROXY-GIBBATETRAEN-6-ONES Merck & Co., Inc. (US) 2007-08-22 EP 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
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US 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
EP-1257264-A4 ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-10 EP disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 US disclosed
EP-1257264-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2002-11-20 EP disclosed
WO-2001082923-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2001-11-08 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 (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-20030027840-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR2 2/4885ESR1 5/4885PRNP 2828/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR2 2/4885ESR1 5/4885PRNP 2828/4885
US-20060094779-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA ESR2 2/4885ESR1 6/4885PRNP 1659/4885
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones ESR1, GPER1, CYP19A1 ESR2 4/4885ESR1 1/4885PRNP 4883/4885

“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.