SCHEMBL4826412

SCHEMBL4826412

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(Cc3ccccc3OC)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.55
ESR2 Q92731 16/20 0.55
GCGR P47871 1/20 0.52
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51
LTA4H P09960 1/20 0.51
FLT3 P36888 1/20 0.48

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
SCHEMBL8473947 0.87 ESR1 (0.58) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL4931312 0.86 ESR1 (0.50) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358515 0.86 ESR1 (0.63) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL5826407 0.86 ESR1 (0.55) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5420147 0.84 ESR1 (0.58) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL4822091 0.83 ESR1 (0.67) ESR1ESR2
SCHEMBL8473855 0.83 ESR1 (0.55) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL8474177 0.83 ESR1 (0.57) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL1359326 0.82 ESR1 (0.63) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1360090 0.82 ESR1 (0.63) ESR1ESR2PSMB1PSMB5PSMB2

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 7 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

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 3/4885GCGR 491/4885
US-20050240017-A1 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods OXER1, GPER1, ESR1 ESR1 3/4885ESR2 4/4885GCGR 340/4885

“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.