SCHEMBL227974

SCHEMBL227974

CCN(C(=O)c1ccc(OCC(=O)N2CCNCC2)cc1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1B P49286 3/20 0.39
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
FKBP1A P62942 1/20 0.36

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 0.92 ESR1 (0.41) ESR1ESR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL223948 0.88 ESR1 (0.39) ESR1ESR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL229282 0.86 ESR1 (0.45) ESR1ESR2ALDH1A1LMNAKDM4E
SCHEMBL226078 0.86 LMNA (0.40) ESR1ESR2ALDH1A1SMN1; SMN2GAA
SCHEMBL230284 0.85 ESR1 (0.44) ESR1ESR2MAPTMTNR1B
SCHEMBL227896 0.84 ESR1 (0.43) ESR1ESR2MAPTGAAPOLB
SCHEMBL226853 0.83 ESR1 (0.46) ESR1ESR2ALDH1A1MAPTMTNR1B
SCHEMBL6426116 0.83 ESR1 (0.47) ESR1ESR2MTNR1BOPRM1OPRD1
SCHEMBL227627 0.83 ESR1 (0.53) ESR1ESR2MTNR1BOPRM1OPRD1
SCHEMBL226133 0.82 ESR1 (0.47) ESR1ESR2MAPTMTNR1BOPRM1

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 TPSAB1 2307/4885TPSD1 3195/4885TPSG1 3140/4885
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 TPSAB1 2228/4885TPSD1 3040/4885TPSG1 3114/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 TPSAB1 2081/4885TPSD1 2609/4885TPSG1 2671/4885

“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.