SCHEMBL227891

SCHEMBL227891

COc1cc(NCCCc2ccc(OCC(C)(C)N)cc2)c([C@@H]2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
GRIN2B Q13224 7/20 0.39
GRIN1 Q05586 2/20 0.39
CYP26A1 O43174 1/20 0.38
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 4/20 0.33
S1PR3 Q99500 3/20 0.33
SLC6A5 Q9Y345 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL229336 0.92 ESR1 (0.51) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL227659 0.92 ESR1 (0.51) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL226218 0.91 ESR1 (0.48) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL225063 0.89 ESR1 (0.40) ESR1ESR2GRIN2BCYP26A1DRD2
SCHEMBL226169 0.88 ESR1 (0.45) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL226066 0.88 ESR1 (0.45) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL228403 0.87 ESR1 (0.47) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL228401 0.87 ESR1 (0.47) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL229986 0.87 ESR1 (0.47) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL229987 0.87 ESR1 (0.47) 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.