SCHEMBL317955

SCHEMBL317955

CC(C)c1cc2c(cc1O)C1CCCCC1C(c1ccc(O)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.41
ESR2 Q92731 13/20 0.41
SHBG P04278 1/20 0.39
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 2/20 0.33
DRD3 P35462 2/20 0.33

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
SCHEMBL10109563 1.00 ESR1 (0.41) ESR1ESR2SHBGHSP90AA1HSP90AB1
SCHEMBL10109552 0.92 ESR1 (0.40) ESR1ESR2SHBGDRD2DRD1
SCHEMBL317980 0.92 ESR1 (0.40) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109554 0.86 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL318429 0.86 ESR1 (0.47) ESR1ESR2SHBGDRD2DRD1
SCHEMBL317766 0.84 ESR1 (0.45) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109560 0.84 ESR1 (0.45) ESR1ESR2SHBGDRD2DRD1
SCHEMBL318777 0.81 ESR1 (0.43) ESR1ESR2SHBGDRD2DRD1
SCHEMBL10109546 0.81 ESR1 (0.43) ESR1ESR2SHBGDRD2DRD1
SCHEMBL318350 0.81 CYP3A4 (0.47) ESR1ESR2SHBG

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 4 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
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.