SCHEMBL2111847

SCHEMBL2111847

O=C(c1ccc(O)cc1)N(c1ccc(O)cc1)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.57
ESR2 Q92731 7/20 0.57
SIGMAR1 Q99720 3/20 0.46
PTPN1 P18031 4/20 0.42
GCGR P47871 1/20 0.41
DEGS1 O15121 1/20 0.40
PDK1 Q15118 1/20 0.39
MCL1 Q07820 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL4869612 0.86 SIGMAR1 (0.56) ESR1ESR2SIGMAR1PTPN1
SCHEMBL4868983 0.84 SIGMAR1 (0.48) ESR1ESR2SIGMAR1PTPN1
SCHEMBL2111349 0.83 NPC1 (0.51) ESR1ESR2SIGMAR1CES2
SCHEMBL4095524 0.78 ESR1 (0.58) ESR1ESR2CES2
SCHEMBL2113060 0.77 ESR1 (0.69) ESR1ESR2CES2
SCHEMBL2113799 0.76 ESR1 (0.58) ESR1ESR2PTPN1DEGS1
SCHEMBL2112590 0.76 ESR1 (0.68) ESR1ESR2PTPN1CES2
SCHEMBL14317832 0.75 NR1H4 (0.41) ESR1ESR2SIGMAR1PTPN1DEGS1
SCHEMBL27602615 0.75 SIGMAR1 (0.47) ESR1ESR2SIGMAR1PTPN1DEGS1
SCHEMBL865178 0.75 ESR1 (0.59) ESR1ESR2PDK1CES2

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-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US claimed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US claimed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN claimed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
CN-102702013-B Nuclear receptor binding agents GTX INC. (US) 2016-02-10 CN disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
CN-102351732-B Nuclear receptor binding agents GTX INC. (US) 2014-10-29 CN disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 ESR1 7/4885ESR2 3/4885SIGMAR1 996/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885SIGMAR1 496/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885SIGMAR1 496/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885SIGMAR1 496/4885

“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.