SCHEMBL4593726

SCHEMBL4593726

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(O)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.68
ESR1 P03372 9/20 0.65
ESR2 Q92731 8/20 0.65
LMNA P02545 4/20 0.65
PGR P06401 4/20 0.65
AR P10275 4/20 0.65
SLC6A4 P31645 4/20 0.65
SLC6A3 Q01959 4/20 0.65
HIF1A Q16665 3/20 0.65
SERPINA6 P08185 3/20 0.65
SNCA P37840 3/20 0.65
NR3C1 P04150 3/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
PTGS1 P23219 1/20 0.65
OR51E2 Q9H255 1/20 0.65
UGT1A10 Q9HAW8 1/20 0.65
HSD17B10 Q99714 4/20 0.63
STS P08842 4/20 0.63
CYP3A4 P08684 3/20 0.63

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
SCHEMBL5680184 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5681898 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL6258554 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5679650 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL6255675 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL14116626 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL3357076 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5678022 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL6256154 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR
SCHEMBL5677831 1.00 SHBG (0.68) SHBGESR1ESR2LMNAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US claimed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US claimed
EP-1144431-B1 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2005-12-21 EP claimed
US-20040053898-A1 Combination preparation with a erbeta selective estrogen and serm or antiestorgen BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 US claimed
US-7414043-B2 9-α-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2008-08-19 US disclosed
US-20080182829-A1 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens PETERS OLAF 2008-07-31 US disclosed
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS KOSEMUND DIRK 2008-06-05 US disclosed
US-7378404-B2 8β-hydrocarbyl-substituted estratrienes for use as selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-05-27 US disclosed
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
US-7109360-B1 16-hydroxyestratrienes as selectively active estrogens SCHERING AG (DE) 2006-09-19 US disclosed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP disclosed
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens SCHERING AG (DE) 2004-05-06 US disclosed
US-20030171345-A1 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives SCHERING AG (DE) 2003-09-11 US disclosed
US-20030130249-A1 Therapeutic use of estrogen receptor (ER)beta-selective agonists for triggering somatotropic, organotropic and anticatabolic effects (somatotropic therapy) SCHERING AG (DE) 2003-07-10 US disclosed
US-6190691-B1 ADMINISTERING FORMULATION COMPRISING TUMOR NERCOSIS FACTOR (TNF) PRODUCTION-INHIBITORY AMOUNT OF A COMPOUND SELECTED FROM LOPERAMIDE AND DIPHENOXYLATE TO MAMMAL ADOLOR CORPORATION 2001-02-20 US disclosed
US-5962477-A USING LOPERAMIDE ADOLOR CORPORATION (US) 1999-10-05 US disclosed
EP-0937460-A2 Use of an antidiarrheal for the manufacture of a medicament for the treatment of inflammatory conditions Adolor Corporation (US) 1999-08-25 EP disclosed
EP-0757558-A4 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORP (US) 1999-06-16 EP disclosed
EP-0757558-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1997-02-12 EP disclosed
WO-1995027510-A1 SCREENING METHODS FOR INTEGUMENTAL INFLAMMATION MODULATING AGENTS ALZA CORPORATION (US) 1995-10-19 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 (5 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-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens ESR1, ESR2, ESRRA SHBG 7/4885ESR1 1/4885ESR2 2/4885
US-20080182829-A1 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens ESR2, ESR1, ESRRA SHBG 10/4885ESR1 2/4885ESR2 1/4885
US-20080132476-A1 SUBSTITUTED ESTRATRIENES AS SELECTIVELY ACTIVE ESTROGENS ESRRA, ESR2, ESR1 SHBG 12/4885ESR1 3/4885ESR2 2/4885
US-20030171345-A1 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives CYP19A1, HSD17B11, GPER1 SHBG 19/4885ESR1 10/4885ESR2 4/4885
US-20040087565-A1 9-alpha-substituted estratrienes as selectively active estrogens ESRRA, ESR2, HSD17B11 SHBG 12/4885ESR1 7/4885ESR2 2/4885

“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.