SCHEMBL10109349

SCHEMBL10109349

COc1ccc(C2=C(OS(=O)(=O)C(F)(F)F)c3ccc(OC)cc3[C@@H]3CCCC[C@H]23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 3/20 0.35
CYP27A1 Q02318 2/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
DRD2 P14416 3/20 0.33
DRD1 P21728 3/20 0.33
DRD4 P21917 3/20 0.33
DRD5 P21918 3/20 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
SCHEMBL317988 1.00 CYP24A1 (0.35) CYP24A1CYP27A1NOS3NOS1NOS2
SCHEMBL10109414 0.75 NOS3 (0.43) NOS3NOS1NOS2SMN1; SMN2LMNA
SCHEMBL318161 0.75 NOS3 (0.43) NOS3NOS1NOS2SMN1; SMN2LMNA
SCHEMBL317927 0.72 KDM4E (0.48) NOS3NOS1NOS2SMN1; SMN2LMNA
SCHEMBL10109356 0.72 KDM4E (0.48) NOS3NOS1NOS2SMN1; SMN2LMNA
SCHEMBL10108790 0.70 KDM4E (0.48) NOS3NOS1NOS2SMN1; SMN2LMNA
SCHEMBL1805846 0.68 SMN1; SMN2 (0.44) SMN1; SMN2BACE1ALDH1A1HPGDDRD2
SCHEMBL1997269 0.67 CA1 (0.57) BACE1GAAMMP1MMP2MMP13
Hydrogen Sulfide SCHEMBL19066712 0.67 STAT3 (0.46) SMN1; SMN2BACE1LMNAALDH1A1HPGD
Iodide SCHEMBL2865870 0.67 STAT3 (0.46) SMN1; SMN2BACE1LMNAALDH1A1HPGD

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-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
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 CYP24A1 1440/4885CYP27A1 373/4885NOS3 3463/4885

“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.