SCHEMBL2419258

SCHEMBL2419258

COc1ccc2c(c1)CC(CCO)C2=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.67
CYP19A1 P11511 2/20 0.61
CYP24A1 Q07973 6/20 0.52
CYP26A1 O43174 2/20 0.52
CYP27A1 Q02318 3/20 0.49
ACHE P22303 2/20 0.46
ALDH1A1 P00352 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL15617638 0.88 METAP1 (0.70) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL29130805 0.87 METAP1 (0.68) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL30715899 0.87 METAP1 (0.68) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL2424817 0.84 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL14306761 0.84 METAP1 (0.72) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL29130764 0.83 METAP1 (0.64) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL5362542 0.82 METAP1 (0.62) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL8596909 0.82 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL6272399 0.82 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL8874844 0.82 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP26A1CYP27A1

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 METAP1 4217/4885CYP19A1 8/4885CYP24A1 310/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA METAP1 4217/4885CYP19A1 8/4885CYP24A1 310/4885
US-20060094779-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA METAP1 3641/4885CYP19A1 44/4885CYP24A1 341/4885
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones ESR1, GPER1, CYP19A1 METAP1 4773/4885CYP19A1 3/4885CYP24A1 926/4885

“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.