SCHEMBL225409

SCHEMBL225409

COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(NCC(=O)OC(C)C(=O)c2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP26A1 O43174 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 1/20 0.32
CCR2 P41597 1/20 0.31
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
XIAP P98170 1/20 0.31
KLK7 P49862 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

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
SCHEMBL227276 0.92 TDP1 (0.36) TDP1ESR1ESR2CYP26A1ALDH1A1
SCHEMBL224523 0.85 AAK1 (0.31) ESR1ESR2CA1CA2ACHE
SCHEMBL228065 0.85 CCKBR (0.31) ESR1ESR2CA1CA2ACHE
SCHEMBL229069 0.84 ESR1 (0.31) ESR1ESR2
SCHEMBL228653 0.83 ESR1 (0.43) ESR1ESR2CYP26A1L3MBTL1ALDH1A1
SCHEMBL227495 0.82 ESR1 (0.39) ESR1ESR2CYP26A1L3MBTL1ALDH1A1
SCHEMBL230018 0.81 ESR1 (0.39) ESR1ESR2CYP26A1CA1CA2
SCHEMBL228032 0.81 ESR1 (0.39) ESR1ESR2CYP26A1CA1CA2
SCHEMBL227228 0.81 ESR1 (0.39) ESR1ESR2CYP26A1CA1CA2
SCHEMBL226505 0.80 CYP26A1 (0.43) ESR1ESR2CYP26A1CA1CA2

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 TDP1 4011/4885ESR1 1/4885ESR2 3/4885

“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.