SCHEMBL2113552

SCHEMBL2113552

O=C(c1ccc(-c2ccccc2)cc1)N(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.61
ESR2 Q92731 6/20 0.61
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
MMP3 P08254 1/20 0.54
BCL2L1 Q07817 1/20 0.54
DEGS1 O15121 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
EGFR P00533 1/20 0.47
NPC1 O15118 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CES2 O00748 1/20 0.47
HSD17B1 P14061 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR3C2 P08235 1/20 0.45
MIF P14174 1/20 0.44

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
SCHEMBL2112322 1.00 ESR1 (0.61) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL2113060 0.91 ESR1 (0.69) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL2114814 0.89 ESR1 (0.66) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL2113020 0.89 ESR1 (0.64) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL3933240 0.89 NR3C2 (0.54) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL2114039 0.88 MMP3 (0.53) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL2111353 0.88 KDM4E (0.55) ESR1ESR2RAB9AMEN1KMT2A
SCHEMBL2113010 0.87 ESR1 (0.64) ESR1ESR2MAPTRAB9AMEN1
SCHEMBL2112590 0.87 ESR1 (0.68) ESR1ESR2MAPTRAB9ALMNA
SCHEMBL11875597 0.83 ESR1 (0.60) ESR1ESR2RAB9ALMNAALDH1A1

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 15 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
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 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 (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 3/4885MAPT 4637/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885MAPT 869/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885MAPT 869/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885MAPT 869/4885

“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.