SCHEMBL317567

SCHEMBL317567

COc1cccc(C2=CC(C)(C)CCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PGR P06401 2/20 0.43
GAA P10253 2/20 0.42
BRD4 O60885 2/20 0.41
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CHEK1 O14757 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
BACE1 P56817 5/20 0.39
KCNH2 Q12809 2/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL319606 0.71 NCOA1 (0.53) NCOA1NCOA3HDAC4HDAC8PGR
SCHEMBL318634 0.69 HDAC4 (0.46) NCOA1NCOA3HDAC4HDAC8GAA
SCHEMBL29489425 0.68 CYP3A4 (0.73) HDAC4HDAC8GAABRD4DYRK1A
SCHEMBL196765 0.68 CYP3A4 (0.73) HDAC4HDAC8GAABRD4DYRK1A
SCHEMBL7484067 0.67 GAA (0.50) NCOA1NCOA3PGRGAABRD4
SCHEMBL1515133 0.67 DYRK1A (0.55) NCOA1NCOA3HDAC4HDAC8GAA
SCHEMBL3671037 0.67 GAA (0.50) NCOA1NCOA3HDAC4HDAC8PGR
SCHEMBL9850097 0.67 NCOA1 (0.48) NCOA1NCOA3HDAC4HDAC8GAA
Hydrogen Sulfide SCHEMBL28640169 0.66 CYP3A4 (0.70) HDAC4HDAC8GAABRD4DYRK1A
SCHEMBL29628977 0.66 CYP3A4 (0.77) HDAC4HDAC8GAABRD4DYRK1A

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 8 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-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
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 NCOA1 65/4885NCOA3 271/4885HDAC4 2735/4885

“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.