SCHEMBL1359614

SCHEMBL1359614

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(OS(=O)(=O)C(F)(F)F)ccc2cc(O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.55
ESR2 Q92731 18/20 0.55
STS P08842 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
PLD2 O14939 1/20 0.54
KDM1A O60341 1/20 0.54
NR1I2 O75469 1/20 0.54
USP2 O75604 1/20 0.54
C5 P01031 1/20 0.54
FYN P06241 1/20 0.54
PGR P06401 1/20 0.54

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
SCHEMBL10306634 0.91 ESR1 (0.52) ESR1ESR2STS
SCHEMBL1358193 0.91 ESR1 (0.54) ESR1ESR2STS
SCHEMBL1358420 0.91 ESR1 (0.54) ESR1ESR2STS
SCHEMBL1358542 0.90 ENPP3 (0.51) ESR1ESR2STS
SCHEMBL10306734 0.90 ENPP3 (0.50) ESR1ESR2STSALDH1A1LMNA
SCHEMBL1358262 0.89 HTT (0.52) ESR1ESR2ALDH1A1KCNH2HTT
SCHEMBL2180952 0.86 ESR1 (0.62) ESR1ESR2
SCHEMBL14503715 0.81 ESR1 (0.65) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8472971 0.79 ESR1 (0.71) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL11177438 0.78 ESR1 (0.67) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217032-B2 Selective estrogen receptor modulators for the treatment of vasomotor symptoms ELI LILLY AND COMPANY (US) 2012-07-10 US disclosed
US-8217032-B2 Selective estrogen receptor modulators for the treatment of vasomotor symptoms ELI LILLY AND COMPANY (US) 2012-07-10 US disclosed
US-8217032-B2 Selective estrogen receptor modulators for the treatment of vasomotor symptoms ELI LILLY AND COMPANY (US) 2012-07-10 US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 US disclosed
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2011-11-17 US disclosed
EP-1709021-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS LILLY CO ELI (US) 2010-08-04 EP disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 US disclosed
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms ELI LILLY AND COMPANY (US) 2009-01-22 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
EP-1709021-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US disclosed
WO-2005073204-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS ELI LILLY AND COMPANY (US) 2005-08-11 WO 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 (3 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 8/4885STS 196/4885
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 ESR1 2/4885ESR2 7/4885STS 806/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 ESR1 2/4885ESR2 7/4885STS 806/4885

“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.