SCHEMBL5677972

SCHEMBL5677972

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
NR3C1 P04150 15/20 0.46
PGR P06401 4/20 0.41
AR P10275 3/20 0.41
STS P08842 2/20 0.41
AKR1B10 O60218 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
CYP1A2 P05177 1/20 0.41
SERPINA6 P08185 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.41
HSD17B1 P14061 1/20 0.41
AKR1B1 P15121 1/20 0.41
NFKB1 P19838 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL6260433 1.00 ESR1 (0.47) ESR1ESR2NR3C1PGRAR
SCHEMBL6260842 0.85 ESR1 (0.49) ESR1ESR2NR3C1PGRAR
SCHEMBL5682088 0.85 ESR1 (0.49) ESR1ESR2NR3C1PGRAR
SCHEMBL6231380 0.83 NR3C1 (0.45) ESR1ESR2NR3C1PGRAR
SCHEMBL4589434 0.83 NR3C1 (0.45) ESR1ESR2NR3C1PGRAR
SCHEMBL4587863 0.83 NR3C1 (0.42) ESR1ESR2NR3C1PGRAR
SCHEMBL4589186 0.81 NR3C1 (0.41) ESR1ESR2NR3C1PGRAR
SCHEMBL15945865 0.75 ESR1 (0.74) ESR1ESR2NR3C1PGRAR
SCHEMBL5677511 0.74 STS (0.61) ESR1ESR2NR3C1PGRAR
SCHEMBL5677777 0.74 STS (0.61) ESR1ESR2NR3C1PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP claimed
US-20060270845-A1 16-Hydroxyestratrienes as selectively active estrogens BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
EP-1144431-B1 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2005-12-21 EP disclosed
EP-1580192-A2 16-Hydroxyestratrienes as selective estrogens Schering AG (DE) 2005-09-28 EP disclosed
EP-1144431-A3 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS Schering Aktiengesellschaft (DE) 2002-06-12 EP disclosed
EP-1144431-A2 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS Schering Aktiengesellschaft (DE) 2001-10-17 EP disclosed
WO-2000047603-A9 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AG (DE) 2001-09-07 WO disclosed
WO-2000047603-A2 16-HYDROXYESTRATRIENES AS SELECTIVE ESTROGENS SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-17 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 (1 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 ESR1 1/4885ESR2 2/4885NR3C1 53/4885

“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.