SCHEMBL2001983

SCHEMBL2001983

COc1ccc(C2CCc3cc(O[Si](C)(C)C(C)(C)C)ccc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
CYP26A1 O43174 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
GRM7 Q14831 1/20 0.39
SGPL1 O95470 1/20 0.37
S1PR1 P21453 1/20 0.37
CYP11B2 P19099 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
SCHEMBL31683678 0.84 DRD2 (0.41) CYP19A1DRD2DRD3CA1CA2
SCHEMBL225179 0.84 DRD2 (0.41) CYP19A1DRD2DRD3CA1CA2
SCHEMBL6420886 0.84 CYP19A1 (0.38) CYP19A1DRD2DRD3CA1CA2
SCHEMBL4420531 0.81 CA1 (0.34) CYP19A1DRD2DRD3CA1CA2
SCHEMBL226103 0.81 DRD2 (0.39) CYP19A1DRD2DRD3CA1CA2
SCHEMBL226101 0.81 DRD2 (0.41) CYP19A1DRD2DRD3CA1CA2
SCHEMBL226102 0.80 CYP19A1 (0.39) CYP19A1DRD2DRD3CA1CA2
SCHEMBL227778 0.78 DRD2 (0.38) CYP19A1DRD2DRD3CA1CA2
SCHEMBL19428987 0.78 CYP26A1 (0.52) DRD2DRD3ALOX15ALOX12CA1
SCHEMBL6204635 0.77 DRD2 (0.51) CYP19A1DRD2DRD3CA1CA2

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 6 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-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-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 (2 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 CYP19A1 22/4885DRD2 2301/4885DRD3 1675/4885
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 CYP19A1 146/4885DRD2 2692/4885DRD3 1808/4885

“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.