SCHEMBL229222

SCHEMBL229222

CCN(Cc1ccc(CC(=O)O)cc1)c1ccccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
NR3C1 P04150 2/20 0.38
MCHR1 Q99705 1/20 0.36
ACHE P22303 7/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GHSR Q92847 1/20 0.33
ELANE P08246 1/20 0.32

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
SCHEMBL227982 0.90 ESR1 (0.60) ESR1ESR2MCHR1ACHERXRA
SCHEMBL228652 0.90 ESR1 (0.60) ESR1ESR2MCHR1ACHERXRA
SCHEMBL227494 0.90 ESR1 (0.60) ESR1ESR2MCHR1ACHERXRA
SCHEMBL226665 0.88 ESR1 (0.49) ESR1ESR2NR3C1ACHERXRA
SCHEMBL225505 0.88 ESR1 (0.49) ESR1ESR2NR3C1ACHERXRA
SCHEMBL226850 0.83 ESR1 (0.59) ESR1ESR2ACHEALDH1A1DRD2
SCHEMBL15888991 0.80 ESR1 (0.59) ESR1ESR2ACHEDRD2DRD3
SCHEMBL229223 0.80 PPARG (0.36) ESR1ESR2MCHR1ACHERXRA
SCHEMBL227763 0.79 ESR1 (0.57) ESR1ESR2ACHEDRD2DRD3
SCHEMBL226656 0.79 ESR1 (0.57) ESR1ESR2MCHR1ACHEDRD2

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-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-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

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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885NR3C1 12/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885NR3C1 13/4885

“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.