SCHEMBL5420147

SCHEMBL5420147

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccccc3CO)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.58
ESR2 Q92731 17/20 0.58
GCGR P47871 1/20 0.53
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
LTA4H P09960 1/20 0.53

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
SCHEMBL5422551 0.95 ESR1 (0.58) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL11186372 0.91 ESR1 (0.61) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8473947 0.90 ESR1 (0.58) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL11184205 0.90 ESR1 (0.59) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL1359828 0.89 ESR1 (0.56) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL5419421 0.87 ESR1 (0.53) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL1359801 0.87 ESR1 (0.56) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL7107781 0.86 ESR1 (0.60) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL8473855 0.86 ESR1 (0.55) ESR1ESR2GCGRPSMB1PSMB5
SCHEMBL8474177 0.86 ESR1 (0.57) ESR1ESR2GCGRPSMB1PSMB5

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-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US claimed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US claimed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
EP-1551822-B1 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LILLY CO ELI (US) 2006-12-20 EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US disclosed
EP-1551822-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELI LILLY AND COMPANY (US) 2005-07-13 EP disclosed
WO-2004009578-A2 PENTACYCLIC OXEPINES AND DERIVATIVES THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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 (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-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 ESR1 6/4885ESR2 8/4885GCGR 470/4885

“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.