SCHEMBL226078

SCHEMBL226078

CCN(C(=O)c1ccc(OCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA2A P29274 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 1/20 0.39
ORAI1 Q96D31 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL225507 0.87 ESR1 (0.41) LMNAESR1ESR2ALDH1A1GAA
SCHEMBL227894 0.87 ESR1 (0.47) ESR1ESR2SMN1; SMN2PKM
SCHEMBL227974 0.86 TPSAB1 (0.41) LMNAESR1ESR2ALDH1A1KDM4E
SCHEMBL223948 0.84 ESR1 (0.39) LMNAESR1ESR2ALDH1A1KDM4E
SCHEMBL229282 0.83 ESR1 (0.45) LMNAESR1ESR2ALDH1A1KDM4E
SCHEMBL227810 0.82 ESR1 (0.48) ESR1ESR2GAAKMT2A
SCHEMBL227896 0.81 ESR1 (0.43) ESR1ESR2GAAHPGD
SCHEMBL230284 0.81 ESR1 (0.44) ESR1ESR2
SCHEMBL227627 0.80 ESR1 (0.53) ESR1ESR2KMT2A
SCHEMBL226853 0.79 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4KMT2A

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 LMNA 3237/4885ADORA2B 2248/4885ADORA2A 1685/4885
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 LMNA 1494/4885ADORA2B 4504/4885ADORA2A 4520/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LMNA 2894/4885ADORA2B 1915/4885ADORA2A 1476/4885

“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.