SCHEMBL229649

SCHEMBL229649

CCN(C(=O)c1ccc(O)cc1)c1ccccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ELANE P08246 4/20 0.37
ACHE P22303 9/20 0.36
CYP26A1 O43174 1/20 0.35
SLC9A3 P48764 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33
PRTN3 P24158 1/20 0.33

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
SCHEMBL228467 1.00 MCHR1 (0.40) MCHR1ESR1ESR2ELANEACHE
SCHEMBL227926 1.00 MCHR1 (0.40) MCHR1ESR1ESR2ELANEACHE
SCHEMBL227723 0.90 ESR1 (0.48) MCHR1ESR1ESR2ELANEACHE
SCHEMBL224270 0.90 ESR1 (0.48) MCHR1ESR1ESR2ELANEACHE
SCHEMBL226309 0.90 ESR1 (0.48) MCHR1ESR1ESR2ELANEACHE
SCHEMBL225692 0.87 ESR1 (0.39) MCHR1ESR1ESR2ELANEACHE
SCHEMBL225691 0.87 ESR1 (0.39) MCHR1ESR1ESR2ELANEACHE
SCHEMBL228048 0.83 ESR1 (0.43) MCHR1ESR1ESR2ELANEACHE
SCHEMBL226615 0.83 ESR1 (0.45) MCHR1ESR1ESR2ELANEACHE
SCHEMBL227627 0.82 ESR1 (0.53) MCHR1ESR1ESR2ACHECYP26A1

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 MCHR1 781/4885ESR1 1/4885ESR2 3/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MCHR1 814/4885ESR1 1/4885ESR2 3/4885

“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.