SCHEMBL318289

SCHEMBL318289

COCc1cc2c(cc1O)C1CCCCC1C(c1ccc(O)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.50
ESR2 Q92731 13/20 0.50
SHBG P04278 1/20 0.40
CYP2D6 P10635 2/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD3 P35462 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL10109585 1.00 ESR1 (0.50) ESR1ESR2SHBGCYP2D6DRD2
SCHEMBL10109580 0.88 ESR1 (0.44) ESR1ESR2SHBG
SCHEMBL317982 0.88 ESR1 (0.44) ESR1ESR2SHBG
SCHEMBL10109583 0.87 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL318687 0.87 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109562 0.86 SHBG (0.45) ESR1ESR2SHBGCYP2D6DRD2
SCHEMBL318456 0.86 SHBG (0.45) ESR1ESR2SHBGCYP2D6DRD2
SCHEMBL5314245 0.85 ESR1 (0.43) ESR1ESR2SHBGDRD2DRD1
SCHEMBL318429 0.84 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109554 0.84 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1

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
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US claimed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US claimed
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
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO 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 1/4885SHBG 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.