SCHEMBL10109501

SCHEMBL10109501

O=C(O)c1cc(O)cc2c1C[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.44
ESR2 Q92731 14/20 0.44
ACMSD Q8TDX5 2/20 0.36
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL318466 1.00 ESR1 (0.44) ESR1ESR2ACMSDADRA2ADRD2
SCHEMBL10109542 0.86 ESR2 (0.43) ESR1ESR2
SCHEMBL318714 0.86 ESR2 (0.43) ESR1ESR2
SCHEMBL10109499 0.86 ESR2 (0.44) ESR1ESR2
SCHEMBL318484 0.86 ESR2 (0.44) ESR1ESR2
SCHEMBL318689 0.83 ESR2 (0.42) ESR1ESR2
SCHEMBL10109527 0.83 ESR2 (0.42) ESR1ESR2
SCHEMBL10109464 0.83 ESR2 (0.49) ESR1ESR2ADRA2ADRD2ADRA2B
SCHEMBL318510 0.83 ESR2 (0.49) ESR1ESR2ADRA2ADRD2ADRA2B
SCHEMBL317716 0.81 ESR2 (0.45) ESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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 (1 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG ESR1 6/4885ESR2 1/4885ACMSD 4384/4885

“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.