SCHEMBL227930

SCHEMBL227930

COc1ccc2c(c1)CC(C)(C)C(Br)C2=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.47
PRNP P04156 1/20 0.46
ACHE P22303 1/20 0.43
CYP19A1 P11511 2/20 0.43
DYRK1A Q13627 2/20 0.43
CYP24A1 Q07973 4/20 0.43
CYP27A1 Q02318 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP26A1 O43174 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
NQO1 P15559 1/20 0.39
POR P16435 1/20 0.39

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
SCHEMBL4462617 0.75 METAP1 (0.58) METAP1ACHECYP19A1CYP24A1CYP27A1
SCHEMBL3958079 0.73 SMN1; SMN2 (0.54) METAP1PRNPACHEDYRK1ASMN1; SMN2
SCHEMBL2440274 0.73 CYP24A1 (0.56) METAP1ACHECYP19A1CYP24A1CYP27A1
SCHEMBL227337 0.72 PRNP (0.50) METAP1PRNPDYRK1ASMN1; SMN2ALDH1A1
SCHEMBL316628 0.72 METAP1 (0.58) METAP1ACHECYP19A1CYP24A1CYP27A1
SCHEMBL9862595 0.72 SMN1; SMN2 (0.49) METAP1PRNPDYRK1ASMN1; SMN2ALDH1A1
SCHEMBL5241361 0.71 CYP24A1 (0.51) METAP1PRNPACHECYP19A1CYP24A1
SCHEMBL2176353 0.71 ACHE (0.54) METAP1ACHECYP19A1ALDH1A1CA1
SCHEMBL23181421 0.70 METAP1 (0.60) METAP1ACHECYP19A1CYP24A1CYP27A1
SCHEMBL316629 0.70 ACHE (0.76) METAP1ACHECYP19A1ALDH1A1KDM4E

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 METAP1 3534/4885PRNP 4814/4885ACHE 3485/4885
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 METAP1 3160/4885PRNP 3137/4885ACHE 2597/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 METAP1 3842/4885PRNP 4803/4885ACHE 3172/4885

“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.