SCHEMBL4885211

SCHEMBL4885211

C[C@@]12CCC[C@H]1[C@@H]1CC=C3CCCC[C@]3(C)[C@@H]1CC2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.67
CYP1B1 Q16678 1/20 0.60
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
SERPINA6 P08185 1/20 0.44
GUSB P08236 1/20 0.44
CYP3A4 P08684 1/20 0.44
G6PD P11413 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL26807214 1.00 CYP19A1 (0.67) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL606825 1.00 CYP19A1 (0.67) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL32677703 1.00 CYP19A1 (0.67) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL28117691 0.90 CYP19A1 (0.56) CYP19A1CYP1B1
SCHEMBL1316417 0.82 CYP19A1 (0.45) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL4448210 0.82 CYP17A1 (0.46) CYP19A1MEN1LMNASHBGSERPINA6
SCHEMBL1316415 0.82 CYP19A1 (0.45) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL19818388 0.81 CYP17A1 (0.65) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL29688903 0.81 CYP17A1 (0.65) CYP19A1CYP1B1MEN1LMNASHBG
SCHEMBL4448216 0.81 CYP19A1 (0.61) CYP19A1CYP1B1MEN1LMNASHBG

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-2667876-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS Harbor BioSciences, Inc. (US) 2013-12-04 EP claimed
WO-2012083090-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS HARBOR BIOSCIENCES, INC. (US) 2012-06-21 WO claimed
US-20070099880-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2007-05-03 US claimed
EP-1689767-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-08-16 EP claimed
WO-2005051972-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-06-09 WO claimed
EP-2667876-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS Harbor BioSciences, Inc. (US) 2013-12-04 EP disclosed
WO-2012083090-A2 METHODS AND COMPOUNDS FOR PREPARING 3ALPHA-OXYGEN SUBSTITUTED STEROIDS HARBOR BIOSCIENCES, INC. (US) 2012-06-21 WO disclosed
US-20080015173-A1 Estrogen Receptor Modulators MERCK & CO., INC. 2008-01-17 US disclosed
US-20070203102-A1 Estrogen Receptor Modulators MERCK & CO., INC. 2007-08-30 US disclosed
US-20070105827-A1 Estrogen receptor modulators BLIZZARD TIMOTHY A 2007-05-10 US disclosed
US-20070099880-A1 Estrogen receptor modulators MERCK SHARP & DOHME CORP. 2007-05-03 US disclosed
EP-1773862-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
EP-1689767-A1 ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-08-16 EP disclosed
WO-2006081152-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-08-03 WO disclosed
WO-2006012333-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-02-02 WO disclosed
WO-2005051972-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-06-09 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-20070105827-A1 Estrogen receptor modulators ESR2, ESR1, GPER1 CYP19A1 27/4885CYP1B1 1619/4885MEN1 1403/4885
US-20080015173-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA CYP19A1 34/4885CYP1B1 1812/4885MEN1 2361/4885
US-20070203102-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA CYP19A1 34/4885CYP1B1 1812/4885MEN1 2361/4885
US-20070099880-A1 Estrogen receptor modulators ESR2, GPER1, ESRRA CYP19A1 34/4885CYP1B1 1812/4885MEN1 2361/4885

“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.