SCHEMBL229029

SCHEMBL229029

CC(C)(C)[Si](C)(C)Oc1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
ALDH1A1 P00352 6/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
PREP P48147 2/20 0.40
HTT P42858 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FBP1 P09467 1/20 0.34

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
SCHEMBL5367354 0.88 AAK1 (0.46) CA12CA1CA9ALDH1A1MAPT
SCHEMBL5235060 0.85 ALDH1A1 (0.46) CA12CA1CA9ALDH1A1MAPT
SCHEMBL5228156 0.84 TSHR (0.49) CA12CA1CA9ALDH1A1MAPT
SCHEMBL21603046 0.84 MAPK1 (0.46) CA12CA1CA9ALDH1A1MAPT
SCHEMBL27087776 0.84 LMNA (0.47) CA12CA1CA9ALDH1A1MAPT
SCHEMBL5239876 0.84 CA12 (0.43) CA12CA1CA9ALDH1A1MAPT
SCHEMBL5235837 0.81 CA12 (0.42) CA12CA1CA9ALDH1A1MAPT
SCHEMBL2105999 0.81 MAPT (0.56) CA12CA1CA9ALDH1A1MAPT
SCHEMBL12422253 0.81 MAPK1 (0.47) CA12CA1CA9ALDH1A1CYP2D6
SCHEMBL16069602 0.81 ATM (0.47) CA12CA1CA9ALDH1A1MAPT

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 CA12 955/4885CA1 304/4885CA9 1880/4885
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 CA12 855/4885CA1 442/4885CA9 1962/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CA12 906/4885CA1 339/4885CA9 1858/4885

“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.