SCHEMBL10109509

SCHEMBL10109509

[C-]#[N+]Cc1cc(O)cc2c1C[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.48
ESR1 P03372 17/20 0.48
SHBG P04278 1/20 0.31

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
SCHEMBL10109534 0.98 ESR2 (0.46) ESR2ESR1SHBG
SCHEMBL10109505 0.85 ESR2 (0.50) ESR2ESR1SHBG
SCHEMBL318652 0.85 ESR2 (0.50) ESR2ESR1SHBG
SCHEMBL10109532 0.84 ESR2 (0.57) ESR2ESR1SHBG
SCHEMBL318447 0.84 ESR2 (0.57) ESR2ESR1SHBG
SCHEMBL10109508 0.83 ESR1 (0.62) ESR2ESR1SHBG
SCHEMBL318657 0.83 ESR1 (0.62) ESR2ESR1SHBG
SCHEMBL10109521 0.83 ESR2 (0.47) ESR2ESR1SHBG
SCHEMBL318648 0.83 ESR2 (0.47) ESR2ESR1SHBG
SCHEMBL318489 0.82 ESR2 (0.47) ESR2ESR1SHBG

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 ESR2 1/4885ESR1 6/4885SHBG 15/4885

“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.