SCHEMBL5679556

SCHEMBL5679556

CC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)C[C@@H](O)C[C@H]3[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.47
ESR2 Q92731 5/20 0.47
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SHBG P04278 2/20 0.42
ESRRA P11474 3/20 0.42
NR3C1 P04150 2/20 0.42
PGR P06401 2/20 0.42
CYP2C19 P33261 2/20 0.42
NR1I2 O75469 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
ESRRB O95718 2/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 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
SCHEMBL5682190 1.00 ESR1 (0.47) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5677657 1.00 ESR1 (0.47) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5679418 1.00 ESR1 (0.47) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5682202 0.92 ESR1 (0.50) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5681884 0.92 ESR1 (0.50) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5872764 0.92 ESR1 (0.50) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5682197 0.92 ESR1 (0.50) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL6260970 0.88 ESR1 (0.46) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL6258409 0.88 ESR1 (0.46) ESR1ESR2HDAC3HDAC6SHBG
SCHEMBL5679603 0.88 ESR1 (0.44) ESR1ESR2HDAC3HDAC6SHBG

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 7 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 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-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-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

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 2/4885HDAC3 739/4885

“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.