SCHEMBL228474

SCHEMBL228474

COCCCNCCOc1ccc(CN(CCO)c2cc(OC)ccc2C2CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.63
ESR2 Q92731 1/20 0.63
CYP26A1 O43174 1/20 0.38
MCHR1 Q99705 1/20 0.36
PPARD Q03181 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 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
SCHEMBL227678 0.92 ESR1 (0.74) ESR1ESR2CYP26A1MCHR1PPARD
SCHEMBL228274 0.91 ESR1 (0.72) ESR1ESR2CYP26A1MCHR1PPARD
SCHEMBL230245 0.91 ESR1 (0.74) ESR1ESR2CYP26A1KMT2A
SCHEMBL230244 0.91 ESR1 (0.74) ESR1ESR2CYP26A1KMT2A
SCHEMBL227722 0.91 ESR1 (0.56) ESR1ESR2CYP26A1MCHR1
SCHEMBL227609 0.89 ESR1 (0.76) ESR1ESR2CYP26A1MCHR1PPARD
SCHEMBL3375966 0.89 ESR1 (0.60) ESR1ESR2CYP26A1
SCHEMBL228473 0.89 ESR1 (0.60) ESR1ESR2CYP26A1
SCHEMBL230473 0.88 ESR1 (0.61) ESR1ESR2CYP26A1
SCHEMBL225830 0.88 ESR1 (0.61) ESR1ESR2CYP26A1

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 11 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 claimed
US-8933130-B2 Treatment of vasomotor symptoms with selective estrogen receptor modulators RADIUS HEALTH, INC. (US) 2015-01-13 US disclosed
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-20100105733-A1 Treatment of vasomotor symptoms with selective estrogen receptor modulators RADIUS HEALTH, INC. 2010-04-29 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 (4 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-20100105733-A1 Treatment of vasomotor symptoms with selective estrogen receptor modulators GPER1, ESR1, SHBG ESR1 2/4885ESR2 4/4885CYP26A1 180/4885
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.