SCHEMBL227259

SCHEMBL227259

COc1ccc([C@@H]2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(CCNC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 2/20 0.41
NAMPT P43490 3/20 0.40
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
JAK3 P52333 2/20 0.38
JAK2 O60674 1/20 0.38
PTK2 Q05397 1/20 0.38
LCK P06239 1/20 0.38
STS P08842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 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
SCHEMBL227257 1.00 MAPT (0.44) MAPTTP53TRPV1LMNANAMPT
SCHEMBL15876484 0.93 TRPV1 (0.42) MAPTTP53TRPV1NAMPTSMN1; SMN2
SCHEMBL226132 0.93 MAPT (0.43) MAPTTP53TRPV1LMNANAMPT
SCHEMBL226130 0.93 MAPT (0.43) MAPTTP53TRPV1LMNANAMPT
SCHEMBL229019 0.86 TRPV1 (0.39) TRPV1NAMPT
SCHEMBL229017 0.86 TRPV1 (0.39) TRPV1NAMPT
SCHEMBL227258 0.84 NAMPT (0.39) MAPTLMNANAMPTEPHX2SMN1; SMN2
SCHEMBL223960 0.82 ESR1 (0.40) MAPTTP53EPHX2STS
SCHEMBL223958 0.82 ESR1 (0.40) MAPTTP53EPHX2STS
SCHEMBL227256 0.81 GPR119 (0.43) NAMPTJAK3JAK2PTK2STS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 3989/4885TP53 368/4885TRPV1 905/4885
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 MAPT 2593/4885TP53 108/4885TRPV1 3050/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MAPT 3856/4885TP53 417/4885TRPV1 681/4885

“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.