SCHEMBL5529413

SCHEMBL5529413

COc1c(O)ccc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)C(O)C[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.60
ESR2 Q92731 7/20 0.60
LMNA P02545 3/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
NR3C1 P04150 1/20 0.60
SHBG P04278 1/20 0.60
PGR P06401 1/20 0.60
SERPINA6 P08185 1/20 0.60
AR P10275 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A4 P31645 1/20 0.60
SNCA P37840 1/20 0.60
SLC6A3 Q01959 1/20 0.60
OR51E2 Q9H255 1/20 0.60
UGT1A10 Q9HAW8 1/20 0.60
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL942015 1.00 ESR1 (0.60) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL5529409 1.00 ESR1 (0.60) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL5470926 0.87 ESR1 (0.72) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL2596534 0.85 ESR1 (0.77) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL31544736 0.85 ESR1 (0.77) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL1048371 0.85 ESR1 (0.77) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL13123060 0.85 ESR1 (0.77) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL11489856 0.85 ESR1 (0.64) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL11651828 0.84 ESR1 (0.63) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL11650980 0.84 ESR1 (0.63) ESR1ESR2LMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US disclosed
CN-1867577-A Estratriene derivatives CRYPTOPHARMA PTY LTD (AU) 2006-11-22 CN disclosed
EP-1625143-A1 ESTRATRIENE DERIVATIVES Cryptopharma Pty Ltd (AU) 2006-02-15 EP disclosed
WO-2004101595-A1 ESTRATRIENE DERIVATIVES CRYPTOPHARMA PTY LTD (AU) 2004-11-25 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-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 ESR1 5/4885ESR2 1/4885LMNA 3831/4885

“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.