SCHEMBL227727

SCHEMBL227727

COc1cc(NC(C)Cc2ccc(OCC(C)(C)N(C)C)c(F)c2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
BACE1 P56817 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP26A1 O43174 1/20 0.31
SGPL1 O95470 1/20 0.31
S1PR1 P21453 1/20 0.31
GHSR Q92847 1/20 0.30
CA9 Q16790 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ACHE P22303 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
SCHEMBL225064 0.92 ESR1 (0.37) ESR1ESR2DRD2DRD1BACE1
SCHEMBL227772 0.91 ESR1 (0.44) ESR1ESR2CYP26A1CA1CA2
SCHEMBL226219 0.89 ESR1 (0.42) ESR1ESR2DRD2DRD1CYP26A1
SCHEMBL227285 0.89 ESR1 (0.38) ESR1ESR2DRD2DRD1HCRTR1
SCHEMBL228616 0.86 ESR1 (0.38) ESR1ESR2DRD2DRD1BACE1
SCHEMBL225478 0.86 ESR1 (0.40) ESR1ESR2DRD2DRD1HCRTR1
SCHEMBL227726 0.85 ESR1 (0.41) ESR1ESR2DRD2DRD1HCRTR1
SCHEMBL229636 0.85 ESR1 (0.36) ESR1ESR2DRD2DRD1HCRTR1
SCHEMBL229905 0.85 ESR1 (0.39) ESR1ESR2DRD2DRD1HCRTR1
SCHEMBL228802 0.84 ESR1 (0.38) ESR1ESR2DRD2DRD1HCRTR1

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 3/4885DRD2 2301/4885
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 21/4885DRD2 2692/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885DRD2 1993/4885

“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.