SCHEMBL227439

SCHEMBL227439

COC(=O)c1ccc(CCN2CCCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HRH3 Q9Y5N1 3/20 0.58
CHKA P35790 1/20 0.56
CYP4A11 Q02928 2/20 0.54
CYP4F2 P78329 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
MBTD1 Q05BQ5 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL7441830 0.98 HRH3 (0.59) GLAKDM4EATMNPSR1HRH3
SCHEMBL10901528 0.88 CHKA (0.64) KDM4ECHKACYP4A11CYP4F2LMNA
SCHEMBL28403717 0.85 KCNJ1 (0.52) GLAKDM4EATMNPSR1CHKA
SCHEMBL65840 0.85 SMN1; SMN2 (0.62) KDM4EATMCYP4A11LMNAMAPT
SCHEMBL228900 0.84 CHKA (0.71) GLAKDM4EATMNPSR1HRH3
SCHEMBL1335735 0.84 CHKA (0.71) GLAKDM4EATMNPSR1HRH3
SCHEMBL21105530 0.84 HRH3 (0.54) HRH3LMNAMAPTMBTD1L3MBTL3
Hydrochloric Acid SCHEMBL28573230 0.83 CHKA (0.69) GLAKDM4EATMNPSR1HRH3
SCHEMBL21105336 0.83 HRH3 (0.61) KDM4EHRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL2873979 0.83 CHKA (0.72) KDM4EHRH3CHKAMAPTMEN1

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 GLA 2523/4885KDM4E 708/4885ATM 3941/4885
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 GLA 1091/4885KDM4E 577/4885ATM 2386/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 GLA 2503/4885KDM4E 718/4885ATM 3843/4885

“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.