SCHEMBL227224

SCHEMBL227224

CCOC(=O)CNc1cc(OC)c(OC)cc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 1/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
CYP26A1 O43174 1/20 0.33
POLB P06746 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33

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
SCHEMBL227225 1.00 ACHE (0.34) ACHECA1CA2ALDH1A1SMN1; SMN2
SCHEMBL227489 1.00 ACHE (0.34) ACHECA1CA2ALDH1A1SMN1; SMN2
SCHEMBL12570804 0.95 ACHE (0.33) ACHECA1CA2ESR1ESR2
SCHEMBL228032 0.91 ESR1 (0.39) ACHECA1CA2SMN1; SMN2ESR1
SCHEMBL227228 0.91 ESR1 (0.39) ACHECA1CA2SMN1; SMN2ESR1
SCHEMBL230018 0.91 ESR1 (0.39) ACHECA1CA2SMN1; SMN2ESR1
SCHEMBL224777 0.91 CA1 (0.39) ACHECA1CA2ESR1ESR2
SCHEMBL224132 0.90 ESR1 (0.38) ACHECA1CA2ESR1ESR2
SCHEMBL227756 0.90 ESR1 (0.38) ACHECA1CA2ESR1ESR2
SCHEMBL227433 0.90 ESR1 (0.38) ACHECA1CA2ESR1ESR2

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
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ACHE 3172/4885CA1 339/4885CA2 488/4885

“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.