SCHEMBL227705

SCHEMBL227705

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NC(C)Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.45
GRIN1 Q05586 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KCNH2 Q12809 1/20 0.41
CYP26A1 O43174 1/20 0.40
CYP19A1 P11511 1/20 0.40
HTR1A P08908 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SLC2A1 P11166 1/20 0.39

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
SCHEMBL227691 0.84 KDM1A (0.46) GRIN2BGRIN1L3MBTL1ESR1ESR2
SCHEMBL229548 0.84 ESR1 (0.43) ESR1ESR2CYP26A1SLC2A1
SCHEMBL223786 0.84 CA1 (0.44) ESR1ESR2CYP26A1CYP19A1
SCHEMBL228793 0.83 GRIN2B (0.42) GRIN2BSIGMAR1ESR1ESR2CYP19A1
SCHEMBL230234 0.82 ESR1 (0.53) GRIN2BGRIN1L3MBTL1ESR1ESR2
SCHEMBL226486 0.82 LTA4H (0.45) ESR1ESR2MAOB
SCHEMBL227495 0.82 ESR1 (0.39) L3MBTL1ESR1ESR2CYP26A1
SCHEMBL224908 0.81 ESR1 (0.54) L3MBTL1ESR1ESR2CYP26A1
SCHEMBL227704 0.80 GRIN2B (0.62) GRIN2BGRIN1SIGMAR1ESR1ESR2
SCHEMBL227672 0.80 ESR1 (0.56) L3MBTL1ESR1ESR2CYP26A1

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 GRIN2B 1206/4885GRIN1 421/4885SIGMAR1 778/4885
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 GRIN2B 3266/4885GRIN1 1602/4885SIGMAR1 2885/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 GRIN2B 1434/4885GRIN1 659/4885SIGMAR1 743/4885

“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.