SCHEMBL230450

SCHEMBL230450

COc1ccc(C2CCc3cc(O)ccc3C2)c(NCCc2ccc(OCCNC3CC3)c(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CYP26A1 O43174 1/20 0.38
GRIN2B Q13224 7/20 0.37
GRIN1 Q05586 2/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.36
ADRA1D P25100 2/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
ADRB2 P07550 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
SCHEMBL225073 0.93 ESR1 (0.46) ESR1ESR2CYP26A1GRIN2BGRIN1
SCHEMBL227990 0.91 ESR1 (0.49) ESR1ESR2CYP26A1POLBKMT2A
SCHEMBL228482 0.90 ESR1 (0.48) ESR1ESR2CYP26A1ADRB2
SCHEMBL225341 0.88 ESR1 (0.47) ESR1ESR2CYP26A1KMT2ANPY5R
SCHEMBL226158 0.88 ESR1 (0.52) ESR1ESR2CYP26A1NPY5RDRD2
SCHEMBL230522 0.88 ESR1 (0.47) ESR1ESR2CYP26A1NPY5RADRA1D
SCHEMBL227955 0.88 ESR1 (0.52) ESR1ESR2CYP26A1NPY5RDRD2
SCHEMBL230202 0.88 ESR1 (0.48) ESR1ESR2CYP26A1POLBKMT2A
SCHEMBL228623 0.88 ESR1 (0.48) ESR1ESR2CYP26A1NPY5RADRA1D
SCHEMBL228481 0.88 ESR1 (0.48) ESR1ESR2CYP26A1NPY5RADRA1D

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 3/4885CYP26A1 459/4885
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 21/4885CYP26A1 857/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CYP26A1 440/4885

“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.