SCHEMBL229164

SCHEMBL229164

CCN(C(=O)C(=O)Cl)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ACHE P22303 3/20 0.44
DRD2 P14416 5/20 0.44
DRD3 P35462 5/20 0.44
CYP26A1 O43174 1/20 0.40
MTNR1A P48039 5/20 0.39
MTNR1B P49286 4/20 0.39
DRD4 P21917 2/20 0.39
CYP19A1 P11511 1/20 0.38
NQO2 P16083 3/20 0.38

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
SCHEMBL227626 0.88 ESR1 (0.51) ESR1ESR2CA1CA2ACHE
SCHEMBL227810 0.84 ESR1 (0.48) ESR1ESR2CA1CA2ACHE
SCHEMBL230284 0.83 ESR1 (0.44) ESR1ESR2CA1CA2ACHE
SCHEMBL227627 0.83 ESR1 (0.53) ESR1ESR2CA1CA2ACHE
SCHEMBL6426116 0.83 ESR1 (0.47) ESR1ESR2CA1CA2ACHE
SCHEMBL224977 0.82 ESR1 (0.49) ESR1ESR2CA1CA2ACHE
SCHEMBL225753 0.82 CYP19A1 (0.47) ESR1ESR2CA1CA2ACHE
SCHEMBL226133 0.82 ESR1 (0.47) ESR1ESR2CA1CA2ACHE
SCHEMBL225975 0.82 ESR1 (0.46) ESR1ESR2CA1CA2ACHE
SCHEMBL227442 0.81 ESR1 (0.54) ESR1ESR2CA1CA2ACHE

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 ESR1 1/4885ESR2 3/4885CA1 304/4885
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 ESR1 34/4885ESR2 21/4885CA1 442/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885CA1 339/4885

“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.