SCHEMBL4822091

SCHEMBL4822091

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(Cc3ccccc3OC)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.67
ESR2 Q92731 19/20 0.67
ENPP3 O14638 1/20 0.57
ENPP1 P22413 1/20 0.57

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
SCHEMBL5826488 0.89 ESR1 (0.73) ESR1ESR2ENPP3ENPP1
SCHEMBL8673151 0.87 ESR1 (0.79) ESR1ESR2ENPP3ENPP1
SCHEMBL6142122 0.85 ESR1 (0.76) ESR1ESR2ENPP3ENPP1
SCHEMBL8671067 0.85 ESR1 (0.87) ESR1ESR2
SCHEMBL4823400 0.83 ESR1 (0.78) ESR1ESR2
SCHEMBL4826412 0.83 ESR1 (0.55) ESR1ESR2
SCHEMBL8598353 0.83 ESR1 (0.89) ESR1ESR2ENPP3ENPP1
SCHEMBL8598366 0.83 ESR1 (0.89) ESR1ESR2ENPP3ENPP1
SCHEMBL6197784 0.82 ESR1 (0.45) ESR1ESR2ENPP3ENPP1
SCHEMBL6141708 0.82 ESR1 (0.84) ESR1ESR2ENPP3ENPP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375229-B2 Dihydro-dibenzo[B,E]oxepine based selective estrogen receptor modulators, compositions and methods ELI LILLY AND COMPANY (US) 2008-05-20 US disclosed
US-7375229-B2 Dihydro-dibenzo[B,E]oxepine based selective estrogen receptor modulators, compositions and methods ELI LILLY AND COMPANY (US) 2008-05-20 US disclosed
US-7375229-B2 Dihydro-dibenzo[B,E]oxepine based selective estrogen receptor modulators, compositions and methods ELI LILLY AND COMPANY (US) 2008-05-20 US disclosed
US-20060142267-A1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS WALLACE OWEN B 2006-06-29 US disclosed
US-7067510-B2 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods ELI LILLY AND COMPANY (US) 2006-06-27 US disclosed
EP-1527076-B1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS LILLY CO ELI (US) 2005-12-28 EP disclosed
US-20050240017-A1 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods ELI LILLY AND COMPANY 2005-10-27 US disclosed
EP-1527076-A1 DIHYDRO-DIBENZO (B,E) OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2005-05-04 EP disclosed
WO-2004009603-A1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2004-01-29 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 (2 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-20060142267-A1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ENPP3 2737/4885
US-20050240017-A1 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods OXER1, GPER1, ESR1 ESR1 3/4885ESR2 4/4885ENPP3 2946/4885

“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.