SCHEMBL2113482

SCHEMBL2113482

COc1ccc(N(C(=O)c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.58
ESR1 P03372 4/20 0.58
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
P4HB P07237 1/20 0.50
CALM1 P0DP23 1/20 0.50
LTA4H P09960 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
F3 P13726 1/20 0.50
XDH P47989 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 1/20 0.50

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
SCHEMBL2112877 1.00 ESR2 (0.58) ESR2ESR1KDM4EHPGDMAPT
SCHEMBL11874843 0.94 KDM4E (0.63) ESR2ESR1KDM4EHPGDRAB9A
SCHEMBL2112462 0.93 KDM4E (0.59) KDM4EHPGDMAPTRAB9AMEN1
SCHEMBL2113098 0.92 HPGD (0.57) ESR2ESR1KDM4EHPGDMAPT
SCHEMBL2111353 0.90 KDM4E (0.55) ESR2ESR1KDM4EHPGDRAB9A
SCHEMBL2113035 0.89 ESR2 (0.48) ESR2ESR1KDM4EHPGDMAPT
SCHEMBL12648779 0.88 HPGD (0.54) ESR2KDM4EHPGDRAB9ACES2
SCHEMBL2113520 0.86 KDM4E (0.71) KDM4EHPGDRAB9AHSP90AA1MEN1
SCHEMBL2112628 0.85 ESR2 (0.61) ESR2ESR1MAPTRAB9ACALM1
SCHEMBL17473870 0.85 THRB (0.62) ESR2ESR1MAPTRAB9AP4HB

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-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
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
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US 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
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 ESR2 3/4885ESR1 7/4885KDM4E 3063/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR2 3/4885ESR1 5/4885KDM4E 1462/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR2 3/4885ESR1 5/4885KDM4E 1462/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR2 3/4885ESR1 5/4885KDM4E 1462/4885

“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.