SCHEMBL226318

SCHEMBL226318

COc1ccc(-c2ccc3cc(OC)ccc3c2)c(C(=O)c2ccc(OCCN3CCCCCC3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.60
ESR2 Q92731 13/20 0.60
PSMB1 P20618 1/20 0.60
PSMB5 P28074 1/20 0.60
PSMB2 P49721 1/20 0.60
FLT3 P36888 1/20 0.55
GCGR P47871 1/20 0.54
LTA4H P09960 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL227226 1.00 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL227625 0.89 ESR1 (0.63) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8599886 0.85 ESR1 (0.65) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL227676 0.84 ESR1 (0.52) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7107781 0.83 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL7105337 0.82 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL225919 0.82 PSMB1 (0.67) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8478108 0.82 ESR1 (0.61) ESR1ESR2
SCHEMBL11186372 0.82 ESR1 (0.61) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8582272 0.82 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2

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 3/4885PSMB1 500/4885
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 21/4885PSMB1 1323/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 658/4885

“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.