SCHEMBL229163

SCHEMBL229163

COc1cc(NC(C)Cc2ccc(OCC3(N)CCCC3)cc2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SGPL1 O95470 11/20 0.35
S1PR1 P21453 11/20 0.35
CYP26A1 O43174 1/20 0.35
ACACB O00763 1/20 0.34
STS P08842 1/20 0.33
PPARG P37231 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 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
SCHEMBL227696 0.92 ESR1 (0.45) ESR1ESR2SGPL1S1PR1CYP26A1
SCHEMBL229221 0.90 ESR1 (0.41) ESR1ESR2SGPL1S1PR1CYP26A1
SCHEMBL227892 0.85 ESR1 (0.41) ESR1ESR2CYP26A1ACACBSTS
SCHEMBL229162 0.85 ESR1 (0.45) ESR1ESR2SGPL1S1PR1CYP26A1
SCHEMBL228884 0.84 ESR1 (0.43) ESR1ESR2CYP26A1ACACBPPARG
SCHEMBL228574 0.83 ESR1 (0.42) ESR1ESR2ACACBPPARGDRD2
SCHEMBL226219 0.83 ESR1 (0.42) ESR1ESR2CYP26A1ACACBSTS
SCHEMBL228373 0.83 ESR1 (0.45) ESR1ESR2ACACBPPARGDRD2
SCHEMBL227288 0.83 ESR1 (0.45) ESR1ESR2ACACBPPARGDRD2
SCHEMBL226435 0.83 ESR1 (0.43) ESR1ESR2CYP26A1ACACBPPARG

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 7 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

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 3/4885SGPL1 3613/4885
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 21/4885SGPL1 2480/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885SGPL1 3742/4885

“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.