SCHEMBL225034

SCHEMBL225034

COc1ccc2c(c1)C=C([Sn](C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.48
BCL2 P10415 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP19A1 P11511 1/20 0.40
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
PTGS2 P35354 1/20 0.38
CHRNA7 P36544 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM1A O60341 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
SCHEMBL225731 0.87 CYP11B1 (0.54) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL227603 0.78 CYP11B2 (0.48) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL11035078 0.77 CYP11B2 (0.51) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL8983557 0.77 CYP11B2 (0.51) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL5779686 0.76 CYP11B2 (0.50) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL30715510 0.76 CYP11B2 (0.50) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL5871793 0.76 CYP11B2 (0.50) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL11449973 0.73 CYP11B2 (0.48) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL5784728 0.72 CYP11B2 (0.47) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL22568903 0.72 CYP11B2 (0.72) CYP11B2CYP11B1CYP19A1DRD1DRD5

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 CYP11B2 363/4885BCL2 2032/4885CYP11B1 195/4885
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 CYP11B2 1251/4885BCL2 829/4885CYP11B1 958/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B2 378/4885BCL2 1883/4885CYP11B1 214/4885

“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.