SCHEMBL5521870

SCHEMBL5521870

C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC(O)[C@@H]2O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 3/20 0.76
ABCC1 P33527 3/20 0.76
ESR1 P03372 4/20 0.69
LMNA P02545 3/20 0.69
ESR2 Q92731 2/20 0.69
CYP2C9 P11712 2/20 0.69
PGR P06401 2/20 0.69
AR P10275 2/20 0.69
SLC6A3 Q01959 2/20 0.69
CYP2C19 P33261 1/20 0.69
HIF1A Q16665 1/20 0.69
NR3C1 P04150 1/20 0.69
SHBG P04278 1/20 0.69
SERPINA6 P08185 1/20 0.69
PTGS1 P23219 1/20 0.69
SLC6A4 P31645 1/20 0.69
SNCA P37840 1/20 0.69
OR51E2 Q9H255 1/20 0.69
UGT1A10 Q9HAW8 1/20 0.69
STS P08842 3/20 0.68

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
SCHEMBL2517551 1.00 ABCC4 (0.76) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL345571 0.91 STS (0.76) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL6440061 0.91 KDM4E (0.76) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL6369320 0.91 STS (0.76) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL2522894 0.90 ABCC4 (0.71) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL6369302 0.89 ESR1 (0.66) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL8214049 0.89 ESR1 (0.66) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL3371578 0.89 ESR1 (0.66) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL3369399 0.89 ESR1 (0.66) ABCC4ABCC1ESR1LMNAESR2
SCHEMBL9397340 0.88 ESR1 (0.77) ABCC4ABCC1ESR1LMNAESR2

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-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US 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 ABCC4 3799/4885ABCC1 3551/4885ESR1 5/4885

“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.