SCHEMBL225074

SCHEMBL225074

COc1ccc(C2CCc3cc(O)ccc3C2)c(NC(C)Cc2ccc(OCCNC3CCCCC3)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
KDM4E B2RXH2 4/20 0.35
CYP26A1 O43174 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ADRA1D P25100 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
XDH P47989 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSD P07339 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31

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
SCHEMBL228587 0.91 ESR1 (0.44) ESR1ESR2CYP26A1ADRA1DL3MBTL1
SCHEMBL229239 0.91 ESR1 (0.48) ESR1ESR2KDM4ECYP26A1ALDH1A1
SCHEMBL230162 0.89 ESR1 (0.45) ESR1ESR2CYP26A1ADRA1DL3MBTL1
SCHEMBL228029 0.89 ESR1 (0.46) ESR1ESR2CYP26A1ADRA1DL3MBTL1
SCHEMBL224720 0.89 ESR1 (0.45) ESR1ESR2CYP26A1L3MBTL1DRD2
SCHEMBL227717 0.88 ESR1 (0.41) ESR1ESR2DRD2DRD3
SCHEMBL227520 0.88 ESR1 (0.45) ESR1ESR2CYP26A1L3MBTL1
SCHEMBL225004 0.88 ESR1 (0.41) ESR1ESR2DRD2DRD3
SCHEMBL225073 0.88 ESR1 (0.46) ESR1ESR2KDM4ECYP26A1ALDH1A1
SCHEMBL229263 0.87 ESR1 (0.44) ESR1ESR2CYP26A1L3MBTL1

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 3/4885KDM4E 708/4885
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 21/4885KDM4E 577/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885KDM4E 718/4885

“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.