SCHEMBL226131

SCHEMBL226131

COc1cc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(C(C)NC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
STS P08842 2/20 0.38
JAK3 P52333 6/20 0.37
JAK2 O60674 5/20 0.37
PTK2 Q05397 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4B Q07343 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
LCK P06239 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALK Q9UM73 1/20 0.34
NPC1 O15118 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
SCHEMBL227258 0.92 NAMPT (0.39) NAMPTSTSJAK3JAK2PTK2
SCHEMBL226130 0.84 MAPT (0.43) NAMPTSTSPDE4BPDE4APDE4C
SCHEMBL226132 0.84 MAPT (0.43) NAMPTSTSPDE4BPDE4APDE4C
SCHEMBL226129 0.81 GPR119 (0.41) NAMPTSTSPDE4BKMT2AMEN1
SCHEMBL227259 0.80 MAPT (0.44) NAMPTSTSJAK3JAK2PTK2
SCHEMBL227257 0.80 MAPT (0.44) NAMPTSTSJAK3JAK2PTK2
SCHEMBL229018 0.78 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL227256 0.76 GPR119 (0.43) NAMPTSTSJAK3JAK2PTK2
SCHEMBL227706 0.76 GPR119 (0.43) NAMPTSTSJAK3JAK2PTK2
SCHEMBL223959 0.73 GPR119 (0.39) STSPDE4BPDE4APDE4CPDE4D

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 NAMPT 4809/4885STS 3099/4885JAK3 3755/4885
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 NAMPT 4838/4885STS 4406/4885JAK3 3292/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 NAMPT 4837/4885STS 2817/4885JAK3 3687/4885

“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.