SCHEMBL10109554

SCHEMBL10109554

Oc1ccc([C@@H]2Cc3cc(O)c(O)cc3[C@@H]3CCCC[C@H]23)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.47
ESR2 Q92731 12/20 0.47
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD3 P35462 2/20 0.42
KDM1A O60341 1/20 0.42
SHBG P04278 1/20 0.42
ALOX15B O15296 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL318429 1.00 ESR1 (0.47) ESR1ESR2DRD2DRD1DRD3
SCHEMBL10109546 0.89 ESR1 (0.43) ESR1ESR2DRD2DRD1DRD3
SCHEMBL10109560 0.89 ESR1 (0.45) ESR1ESR2DRD2DRD1DRD3
SCHEMBL318777 0.89 ESR1 (0.43) ESR1ESR2DRD2DRD1DRD3
SCHEMBL317766 0.89 ESR1 (0.45) ESR1ESR2DRD2DRD1DRD3
SCHEMBL318687 0.87 ESR1 (0.47) ESR1ESR2DRD2DRD1DRD3
SCHEMBL10109583 0.87 ESR1 (0.47) ESR1ESR2DRD2DRD1DRD3
SCHEMBL10109480 0.87 SHBG (0.52) ESR1ESR2SHBG
SCHEMBL10109447 0.87 ESR1 (0.55) ESR1ESR2SHBG
SCHEMBL317512 0.87 SHBG (0.52) 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 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 1/4885DRD2 2687/4885

“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.