SCHEMBL227284

SCHEMBL227284

COc1cc(NCCCc2ccc(OCCN(C)C)c(F)c2)c([C@@H]2CCc3cc(O)ccc3C2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
GRIN2B Q13224 2/20 0.35
KDR P35968 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP26A1 O43174 1/20 0.33
DRD2 P14416 3/20 0.33
DRD1 P21728 2/20 0.33
DRD3 P35462 2/20 0.33
ADRB2 P07550 1/20 0.33
DRD4 P21917 1/20 0.33
CHEK1 O14757 2/20 0.32

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
SCHEMBL228407 1.00 ESR1 (0.41) ESR1ESR2GRIN2BKDRSMN1; SMN2
SCHEMBL228617 0.94 ESR1 (0.40) ESR1ESR2GRIN2BCYP26A1DRD2
SCHEMBL229851 0.94 ESR1 (0.40) ESR1ESR2GRIN2BCYP26A1DRD2
SCHEMBL229934 0.93 ESR1 (0.41) ESR1ESR2SMN1; SMN2CYP26A1DRD2
SCHEMBL227487 0.93 ESR1 (0.41) ESR1ESR2SMN1; SMN2CYP26A1DRD2
SCHEMBL225477 0.93 ESR1 (0.43) ESR1ESR2GRIN2BKDRCYP26A1
SCHEMBL230524 0.93 ESR1 (0.43) ESR1ESR2GRIN2BKDRCYP26A1
SCHEMBL229729 0.92 ESR1 (0.40) ESR1ESR2GRIN2BSMN1; SMN2CYP26A1
SCHEMBL224719 0.92 ESR1 (0.47) ESR1ESR2GRIN2BKDRCYP26A1
SCHEMBL227623 0.92 ESR1 (0.47) ESR1ESR2GRIN2BKDRCYP26A1

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 3/4885GRIN2B 1206/4885
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.