SCHEMBL227603

SCHEMBL227603

COc1ccc2c(c1)CCCC([Sn](C)(C)C)=C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.48
CYP11B1 P15538 4/20 0.48
PTGS2 P35354 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP19A1 P11511 3/20 0.43
KDM1A O60341 1/20 0.40
BCL2 P10415 1/20 0.39
DRD2 P14416 4/20 0.38
DRD1 P21728 4/20 0.38
DRD5 P21918 4/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 3/20 0.38
HSD17B10 Q99714 1/20 0.37

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 0.90 CYP11B1 (0.54) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL225034 0.78 CYP11B2 (0.48) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL3655069 0.76 PTGS2 (0.69) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL22568906 0.74 PTGS2 (0.62) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL22569104 0.72 PTGS2 (0.63) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL31028084 0.72 DRD1 (0.62) BCL2DRD2DRD1DRD5DRD3
SCHEMBL1506557 0.72 DRD1 (0.62) BCL2DRD2DRD1DRD5DRD3
SCHEMBL971871 0.71 MAOA (0.50) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL629729 0.71 CYP11B1 (0.54) CYP11B2CYP11B1PTGS2MAOAMAOB
SCHEMBL22568913 0.71 PTGS2 (0.62) CYP11B2CYP11B1PTGS2MAOAMAOB

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 363/4885CYP11B1 195/4885PTGS2 2136/4885
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 1251/4885CYP11B1 958/4885PTGS2 3624/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B2 378/4885CYP11B1 214/4885PTGS2 2249/4885

“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.