SCHEMBL319606

SCHEMBL319606

COc1cccc(C2=CCC(C)(C)CC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PGR P06401 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 1/20 0.41
BACE1 P56817 2/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 2/20 0.40
NPC1 O15118 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL317567 0.71 NCOA1 (0.47) NCOA1NCOA3HDAC4HDAC8ALDH1A1
SCHEMBL9850097 0.70 NCOA1 (0.48) NCOA1NCOA3HDAC4HDAC8ALDH1A1
SCHEMBL318634 0.69 HDAC4 (0.46) NCOA1NCOA3HDAC4HDAC8ALDH1A1
SCHEMBL4420855 0.69 CYP2C19 (0.50) NCOA1NCOA3ALDH1A1HTTGAA
SCHEMBL7491199 0.68 ALPL (0.74) NCOA1NCOA3ALDH1A1PGRGAA
SCHEMBL196765 0.68 CYP3A4 (0.73) HDAC4HDAC8ALDH1A1GAAKMT2A
SCHEMBL29489425 0.68 CYP3A4 (0.73) HDAC4HDAC8ALDH1A1GAAKMT2A
SCHEMBL4420977 0.68 PGR (0.68) NCOA1NCOA3HDAC4HDAC8PGR
SCHEMBL3671037 0.67 GAA (0.50) NCOA1NCOA3HDAC4HDAC8ALDH1A1
SCHEMBL29628977 0.66 CYP3A4 (0.77) HDAC4HDAC8ALDH1A1GAABRD4

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.