SCHEMBL228664

SCHEMBL228664

COc1ccc([C@@H]2CCc3cc(O)ccc3C2)c(NCCCc2ccc(CCNC3CCCCC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
GRIN2B Q13224 8/20 0.48
GRIN1 Q05586 2/20 0.48
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP26A1 O43174 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL3996726 1.00 ESR1 (0.56) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL229238 0.94 ESR1 (0.51) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL229713 0.89 ESR1 (0.53) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL225073 0.87 ESR1 (0.46) ESR1ESR2GRIN2BGRIN1CYP26A1
SCHEMBL228665 0.87 ESR1 (0.55) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL230233 0.87 ESR1 (0.55) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL228363 0.86 ESR1 (0.57) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL14889420 0.86 ESR1 (0.54) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL14889422 0.86 ESR1 (0.54) ESR1ESR2GRIN2BGRIN1POLB
SCHEMBL227598 0.86 ESR1 (0.51) ESR1ESR2GRIN2BGRIN1CYP26A1

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 16 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
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 3/4885GRIN2B 1206/4885
US-20100105733-A1 Treatment of vasomotor symptoms with selective estrogen receptor modulators GPER1, ESR1, SHBG ESR1 2/4885ESR2 4/4885GRIN2B 1510/4885
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 21/4885GRIN2B 3266/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GRIN2B 1434/4885

“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.