SCHEMBL228665

SCHEMBL228665

COc1ccc(C2CCc3cc(O)ccc3C2)c(NC(C)Cc2ccc(CCNC3CCCCC3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 7/20 0.40
GRIN1 Q05586 2/20 0.40
CYP26A1 O43174 1/20 0.40
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD4 P21917 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL229239 0.92 ESR1 (0.48) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL229714 0.88 ESR1 (0.50) ESR1ESR2POLBKMT2AGRIN2B
SCHEMBL228364 0.87 ESR1 (0.56) ESR1ESR2POLBKMT2AGRIN2B
SCHEMBL228664 0.87 ESR1 (0.56) ESR1ESR2POLBKMT2AGRIN2B
SCHEMBL3996726 0.87 ESR1 (0.56) ESR1ESR2POLBKMT2AGRIN2B
SCHEMBL230234 0.87 ESR1 (0.53) ESR1ESR2POLBKMT2AGRIN2B
SCHEMBL225074 0.86 ESR1 (0.45) ESR1ESR2KMT2AGRIN2BGRIN1
SCHEMBL229205 0.86 ESR1 (0.57) ESR1ESR2POLBKMT2AGRIN2B
SCHEMBL225502 0.86 ESR1 (0.49) ESR1ESR2CYP26A1ADRA1DADRA1A
SCHEMBL228197 0.86 ESR1 (0.59) ESR1ESR2POLBKMT2AGRIN2B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933130-B2 Treatment of vasomotor symptoms with selective estrogen receptor modulators RADIUS HEALTH, INC. (US) 2015-01-13 US claimed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP claimed
EP-2037905-B1 TREATMENT OF VASOMOTOR SYMPTOMS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2013-05-01 EP claimed
US-20100105733-A1 Treatment of vasomotor symptoms with selective estrogen receptor modulators RADIUS HEALTH, INC. 2010-04-29 US claimed
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 claimed
EP-2037905-A2 TREATMENT OF VASOMOTOR SYMPTOMS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS Radius Health, Inc. (US) 2009-03-25 EP claimed
WO-2008002490-A2 TREATMENT OF VASOMOTOR SYMPTOMS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2008-01-03 WO 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
EP-2037905-B1 TREATMENT OF VASOMOTOR SYMPTOMS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2013-05-01 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 3/4885POLB 3238/4885
US-20100105733-A1 Treatment of vasomotor symptoms with selective estrogen receptor modulators GPER1, ESR1, SHBG ESR1 2/4885ESR2 4/4885POLB 4777/4885
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 21/4885POLB 2092/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885POLB 3007/4885

“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.