SCHEMBL225205

SCHEMBL225205

COc1cc(NC(C)C(=O)c2ccc(OC(C)=O)cc2)c(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 0.36
TUBB1 Q9H4B7 2/20 0.36
ELANE P08246 5/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL228050 0.91 CA1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL228416 0.91 PDE4A (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL229619 0.83 CA1 (0.33) ELANEPDE4APDE4BPDE4CPDE4D
SCHEMBL227433 0.80 ESR1 (0.38) ELANEPDE4APDE4BPDE4CPDE4D
SCHEMBL227756 0.80 ESR1 (0.38) ELANEPDE4APDE4BPDE4CPDE4D
SCHEMBL224132 0.80 ESR1 (0.38) ELANEPDE4APDE4BPDE4CPDE4D
SCHEMBL225861 0.78 ACHE (0.38) ELANEPDE4APDE4BPDE4CPDE4D
SCHEMBL225506 0.78 ESR1 (0.34) CYP3A4
SCHEMBL225204 0.78 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL224184 0.77 CA1 (0.42) CA1CA2ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TUBB4A 3686/4885TUBB 3655/4885TUBA3C 4115/4885

“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.