SCHEMBL225005

SCHEMBL225005

CCNc1ccccc1[C@@H]1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
ACHE P22303 5/20 0.40
ELANE P08246 11/20 0.39
PRTN3 P24158 9/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL225006 1.00 MCHR1 (0.41) MCHR1ACHEELANEPRTN3ESR1
SCHEMBL227779 1.00 MCHR1 (0.41) MCHR1ACHEELANEPRTN3ESR1
SCHEMBL31344789 0.88 ESR1 (0.44) ACHEESR1ESR2
SCHEMBL225039 0.88 ESR1 (0.44) ACHEESR1ESR2
SCHEMBL225828 0.88 ESR1 (0.44) ACHEESR1ESR2
SCHEMBL225827 0.88 ESR1 (0.44) ACHEESR1ESR2
SCHEMBL227490 0.88 ACHE (0.43) ACHEESR1ESR2
SCHEMBL226175 0.87 ACHE (0.35) MCHR1ACHEELANEPRTN3
SCHEMBL224132 0.85 ESR1 (0.38) ACHEELANEESR1ESR2
SCHEMBL227433 0.85 ESR1 (0.38) ACHEELANEESR1ESR2

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 5 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-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 781/4885ACHE 3485/4885ELANE 2236/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MCHR1 814/4885ACHE 3172/4885ELANE 2168/4885

“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.