SCHEMBL227141

SCHEMBL227141

COc1cc(NC(C)Cc2ccc(OCCN3CCCCCC3)nc2)c(C2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
ESR1 P03372 8/20 0.39
ESR2 Q92731 6/20 0.36
CHEK1 O14757 4/20 0.36
LTA4H P09960 2/20 0.36
PDE4D Q08499 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL229230 0.92 ESR1 (0.39) F2ESR1ESR2LTA4HPDE4D
SCHEMBL228342 0.91 ESR1 (0.42) F2ESR1ESR2PDE4DHRH3
SCHEMBL228373 0.90 ESR1 (0.45) ESR1ESR2PDE4DHRH3
SCHEMBL227288 0.90 ESR1 (0.45) ESR1ESR2PDE4DHRH3
SCHEMBL226284 0.89 ESR1 (0.41) ESR1ESR2CHEK1LTA4H
SCHEMBL225617 0.89 ESR1 (0.41) ESR1ESR2CHEK1LTA4H
SCHEMBL228574 0.88 ESR1 (0.42) F2ESR1ESR2PDE4DHRH3
SCHEMBL225839 0.87 ESR1 (0.41) F2ESR1ESR2HRH3
SCHEMBL228656 0.87 ESR1 (0.41) F2ESR1ESR2HRH3
SCHEMBL227483 0.86 ESR1 (0.40) ESR1ESR2PDE4DHRH3

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 F2 2458/4885ESR1 1/4885ESR2 3/4885
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 F2 1975/4885ESR1 34/4885ESR2 21/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 F2 1762/4885ESR1 1/4885ESR2 3/4885

“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.