SCHEMBL5677986

SCHEMBL5677986

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC=C2F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.76
ESR2 Q92731 8/20 0.71
SHBG P04278 4/20 0.63
HSD17B10 Q99714 4/20 0.63
LMNA P02545 4/20 0.63
STS P08842 3/20 0.63
PGR P06401 3/20 0.63
SERPINA6 P08185 3/20 0.63
AR P10275 3/20 0.63
SLC6A4 P31645 3/20 0.63
SNCA P37840 3/20 0.63
SLC6A3 Q01959 3/20 0.63
HIF1A Q16665 3/20 0.63
HSD17B1 P14061 2/20 0.63
AKR1B10 O60218 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
MAPT P10636 2/20 0.63
AKR1B1 P15121 2/20 0.63
HTR2B P41595 2/20 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
SCHEMBL10771941 0.88 ESR1 (0.80) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL7057452 0.85 ESR1 (0.76) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL4590132 0.84 ESR1 (0.53) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL18244641 0.83 ESR1 (1.00) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL7058461 0.83 ESR1 (0.83) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL7056815 0.82 ESR1 (0.71) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL8436829 0.82 ESR1 (0.71) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL7218327 0.82 ESR1 (0.71) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL5156065 0.82 ESR1 (0.71) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL5159033 0.82 ESR1 (0.71) ESR1ESR2SHBGHSD17B10LMNA

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 3 patents. 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 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

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 2/4885SHBG 7/4885

“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.