SCHEMBL4733853

SCHEMBL4733853

CCOC(=O)C1(CCF)Cc2cc(OC)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
PPARG P37231 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
PRKCZ Q05513 1/20 0.36
METAP1 P53582 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL28587931 0.80 SMN1; SMN2 (0.49) SMN1; SMN2PPARGL3MBTL1CA1CA2
SCHEMBL11477738 0.76 SMN1; SMN2 (0.55) SMN1; SMN2PPARGL3MBTL1ALDH1A1KDM4E
SCHEMBL28612103 0.76 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1CA1CA2CA4
SCHEMBL9363341 0.74 OPRM1 (0.37) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL10341539 0.73 SMN1; SMN2 (0.47) SMN1; SMN2PPARGL3MBTL1CA1CA2
SCHEMBL13988029 0.72 KDM4E (0.45) L3MBTL1CA1CA2CA7CA9
SCHEMBL9937345 0.72 OPRM1 (0.39) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL27188920 0.72 BRD4 (0.43) SMN1; SMN2L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL27188925 0.71 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CA1CA2CA4
SCHEMBL14638438 0.71 APP (0.49) SMN1; SMN2PPARGL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057309-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008057309-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-05-15 WO 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
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 SMN1; SMN2 1597/4885PPARG 222/4885L3MBTL1 3310/4885
US-20070293706-A1 Synthesis Of 1,5-Disubstituted-2-Hydroxy-Gibbatetraen-6-Ones ESR1, GPER1, CYP19A1 SMN1; SMN2 4865/4885PPARG 1326/4885L3MBTL1 3129/4885

“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.