SCHEMBL229238

SCHEMBL229238

COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCCc2ccc(OCCNC3CCCCC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
GRIN2B Q13224 7/20 0.46
GRIN1 Q05586 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP26A1 O43174 1/20 0.40
XDH P47989 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
FOXM1 Q08050 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL229713 0.96 ESR1 (0.53) ESR1ESR2GRIN2BGRIN1KDM4E
SCHEMBL228664 0.94 ESR1 (0.56) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL3996726 0.94 ESR1 (0.56) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL225073 0.91 ESR1 (0.46) ESR1ESR2GRIN2BGRIN1KDM4E
SCHEMBL228768 0.90 ESR1 (0.51) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL229496 0.88 ESR1 (0.53) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL229865 0.88 ESR1 (0.53) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL229058 0.88 ESR1 (0.53) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL228120 0.88 ESR1 (0.50) ESR1ESR2GRIN2BCYP26A1
SCHEMBL227389 0.88 ESR1 (0.51) ESR1ESR2GRIN2BGRIN1CYP26A1

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 3/4885GRIN2B 1206/4885
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 21/4885GRIN2B 3266/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GRIN2B 1434/4885

“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.