SCHEMBL229984

SCHEMBL229984

CCN(Cc1ccc(OCCNCCC(C)C)c(F)c1)c1cc(OC)c(OC)cc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CXCR3 P49682 10/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
SGPL1 O95470 1/20 0.31
S1PR1 P21453 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL226630 0.94 ESR1 (0.52) ESR1ESR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL226628 0.94 ESR1 (0.52) ESR1ESR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL228110 0.93 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL228140 0.92 ESR1 (0.63) ESR1ESR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL229824 0.92 ESR1 (0.53) ESR1ESR2KDM4ESMN1; SMN2PPARD
SCHEMBL229903 0.91 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1CXCR3
SCHEMBL227086 0.90 ESR1 (0.52) ESR1ESR2PPARDPPARASGPL1
SCHEMBL224855 0.90 ESR1 (0.51) ESR1ESR2KDM4EALDH1A1CXCR3
SCHEMBL228023 0.90 ESR1 (0.60) ESR1ESR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL15888982 0.90 ESR1 (0.54) ESR1ESR2KDM4EALDH1A1CXCR3

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 6 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-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 (2 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-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 ESR1 34/4885ESR2 21/4885KDM4E 577/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885KDM4E 718/4885

“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.