SCHEMBL225039

SCHEMBL225039

CCNc1cc(OC)ccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ACHE P22303 4/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CYP26A1 O43174 1/20 0.41
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
NQO2 P16083 4/20 0.39

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
SCHEMBL225827 1.00 ESR1 (0.44) ESR1ESR2ACHECA1CA2
SCHEMBL31344789 1.00 ESR1 (0.44) ESR1ESR2ACHECA1CA2
SCHEMBL225828 1.00 ESR1 (0.44) ESR1ESR2ACHECA1CA2
SCHEMBL224576 0.93 DRD2 (0.43) ESR1ESR2ACHECA1CA2
SCHEMBL227490 0.92 ACHE (0.43) ESR1ESR2ACHECA1CA2
SCHEMBL227228 0.90 ESR1 (0.39) ESR1ESR2ACHECA1CA2
SCHEMBL230018 0.90 ESR1 (0.39) ESR1ESR2ACHECA1CA2
SCHEMBL228032 0.90 ESR1 (0.39) ESR1ESR2ACHECA1CA2
SCHEMBL228096 0.90 ACHE (0.44) ESR1ESR2ACHECA1CA2
SCHEMBL227433 0.89 ESR1 (0.38) ESR1ESR2ACHECA1CA2

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-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 3/4885ACHE 3485/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ACHE 3172/4885

“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.