SCHEMBL227495

SCHEMBL227495

COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(NC(C)Cc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP26A1 O43174 2/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NQO2 P16083 1/20 0.34
CCR2 P41597 1/20 0.34
PPARD Q03181 1/20 0.33
XIAP P98170 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 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
SCHEMBL226852 0.93 ESR1 (0.39) ESR1ESR2CYP26A1CA1CA2
SCHEMBL225506 0.92 ESR1 (0.34) ESR1ESR2CYP26A1L3MBTL1ALDH1A1
SCHEMBL229223 0.91 PPARG (0.36) ESR1ESR2CYP26A1ACHEL3MBTL1
SCHEMBL227765 0.89 ESR1 (0.38) ESR1ESR2CYP26A1CA1CA2
SCHEMBL226658 0.88 ESR1 (0.39) ESR1ESR2CYP26A1CA1CA2
SCHEMBL228685 0.85 ESR1 (0.36) ESR1ESR2CYP26A1CA1CA2
SCHEMBL228653 0.85 ESR1 (0.43) ESR1ESR2CYP26A1CA1CA2
SCHEMBL223949 0.85 CA1 (0.42) ESR1ESR2CYP26A1CA1CA2
SCHEMBL224184 0.85 CA1 (0.42) ESR1ESR2CYP26A1CA1CA2
SCHEMBL223950 0.85 CA1 (0.42) 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 8 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-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP26A1 459/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ESR1 34/4885ESR2 21/4885CYP26A1 857/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP26A1 440/4885

“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.