SCHEMBL228431

SCHEMBL228431

C=CCCNCCc1ccc(CC(C)Nc2cc(OC)c(OC)cc2C2CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
ADRB2 P07550 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A1 O15245 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
CA9 Q16790 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
SCHEMBL224434 0.91 ESR1 (0.42) ESR1ESR2ADRB2ALDH1A1LMNA
SCHEMBL229991 0.90 ESR1 (0.56) ESR1ESR2ADRB2DRD2ADRA1D
SCHEMBL227844 0.89 ESR1 (0.49) ESR1ESR2ADRB2CYP3A4ALDH1A1
SCHEMBL229660 0.88 ESR1 (0.48) ESR1ESR2ADRB2CYP3A4ALDH1A1
SCHEMBL229733 0.87 ESR1 (0.38) ESR1ESR2ALDH1A1LMNADRD2
SCHEMBL228432 0.86 ESR1 (0.49) ESR1ESR2ADRB2ALDH1A1LMNA
SCHEMBL227162 0.85 ESR1 (0.45) ESR1ESR2CYP3A4ALDH1A1DRD2
SCHEMBL229781 0.83 ESR1 (0.48) ESR1ESR2DRD2DRD1CA9
SCHEMBL229062 0.83 ESR1 (0.42) ESR1ESR2ALDH1A1SLC6A3DRD2
SCHEMBL227040 0.83 ESR1 (0.42) ESR1ESR2ALDH1A1DRD2DRD1

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 3/4885ADRB2 697/4885
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 21/4885ADRB2 1594/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ADRB2 536/4885

“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.