SCHEMBL4820602

SCHEMBL4820602

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(Cc2ccccc2O)ccc2cc(O)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.61
ESR2 Q92731 19/20 0.61
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PLD2 O14939 1/20 0.55
KDM1A O60341 1/20 0.55
NR1I2 O75469 1/20 0.55
USP2 O75604 1/20 0.55
C5 P01031 1/20 0.55
FYN P06241 1/20 0.55
PGR P06401 1/20 0.55
ADRA2A P08913 1/20 0.55

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
SCHEMBL8472971 0.86 ESR1 (0.71) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL4823400 0.82 ESR1 (0.78) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL4826412 0.82 ESR1 (0.55) ESR1ESR2
SCHEMBL14503715 0.82 ESR1 (0.65) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL11177438 0.81 ESR1 (0.67) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL4826355 0.81 LTA4H (0.52) ESR1ESR2
SCHEMBL8477101 0.81 ESR1 (0.62) ESR1ESR2
SCHEMBL1358152 0.81 ESR1 (0.62) ESR1ESR2
SCHEMBL6193673 0.81 CHEK2 (0.44) ESR1ESR2
Hydrochloric Acid SCHEMBL7121587 0.81 ESR1 (0.59) ESR1ESR2MEN1ALDH1A1LMNA

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 13 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 claimed
US-20060142267-A1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS WALLACE OWEN B 2006-06-29 US claimed
EP-1527076-B1 DIHYDRO-DIBENZO[B,E]OXEPINE BASED SELECTIVE ESTROGEN RECEPTOR MODULATORS, COMPOSITIONS AND METHODS LILLY CO ELI (US) 2005-12-28 EP claimed
US-20050240017-A1 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods ELI LILLY AND COMPANY 2005-10-27 US claimed
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 3/4885MEN1 1674/4885
US-20050240017-A1 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods OXER1, GPER1, ESR1 ESR1 3/4885ESR2 4/4885MEN1 775/4885

“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.