SCHEMBL1360090

SCHEMBL1360090

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.63
ESR2 Q92731 16/20 0.63
PSMB1 P20618 1/20 0.60
PSMB5 P28074 1/20 0.60
PSMB2 P49721 1/20 0.60
NR5A2 O00482 1/20 0.59
FLT3 P36888 1/20 0.55
MEN1 O00255 1/20 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
ALDH1A1 P00352 1/20 0.54
C5 P01031 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
FYN P06241 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 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
SCHEMBL1359326 1.00 ESR1 (0.63) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358515 0.90 ESR1 (0.63) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8755056 0.88 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL11186372 0.85 ESR1 (0.61) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL6277773 0.85 ESR1 (0.53) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7107781 0.85 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8473947 0.85 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5422551 0.85 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8476813 0.84 ESR1 (0.63) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL11184205 0.84 ESR1 (0.59) 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 35 patents — showing the first 20. 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-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
EP-1530470-B9 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2010-04-07 EP disclosed
US-7585977-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
EP-1530470-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2009-06-10 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-20080221163-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-11 US disclosed
US-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP DALLY ROBERT DEAN 2008-09-04 US disclosed
US-7399867-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
US-20060122386-A1 Derivative of dihydro-dibenzo (a) anthracenes and their use as selective estrogen receptor modulators ELI LILLY AND COMPANY 2006-06-08 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-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY 2005-11-24 US 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
WO-2005073205-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO 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-1546139-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-29 EP 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-2004029047-A1 DERIVATIVE OF DIHYDRO-DIBENZO (A) ANTHRACENES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-04-08 WO 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 (7 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-20060122386-A1 Derivative of dihydro-dibenzo (a) anthracenes and their use as selective estrogen receptor modulators ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 2408/4885
US-20080221163-A1 Selective Estrogen Receptor Modulators GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885PSMB1 665/4885
US-20050261277-A1 Pentacyclic oxepines and derivatives thereof, compositions and methods NR5A1, NR3C2, OXER1 ESR1 6/4885ESR2 8/4885PSMB1 2633/4885
US-20090023917-A1 Selective Estrogen Receptor Modulators for the Treatment of Vasomotor Symptoms GPER1, ESR1, HSD17B11 ESR1 2/4885ESR2 7/4885PSMB1 1733/4885
US-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885PSMB1 296/4885
US-20110281847-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS GPER1, ESR1, HSD17B11 ESR1 2/4885ESR2 7/4885PSMB1 1733/4885
US-20050240017-A1 Dihydro-dibenzo[b,e]oxepine based selective estrogren receptor modulators, compositions and methods OXER1, GPER1, ESR1 ESR1 3/4885ESR2 4/4885PSMB1 2766/4885

“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.