SCHEMBL2113020

SCHEMBL2113020

O=C(c1ccccc1)N(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.64
ESR2 Q92731 7/20 0.64
NR3C2 P08235 2/20 0.54
CES2 O00748 1/20 0.54
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSPD1 P10809 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
HSPE1 P61604 1/20 0.43

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
SCHEMBL2113010 0.98 ESR1 (0.64) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL2113060 0.94 ESR1 (0.69) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL2114814 0.92 ESR1 (0.66) ESR1ESR2NR3C2CES2ALDH1A1
Cyanate SCHEMBL27894015 0.89 ESR1 (0.56) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL2112590 0.89 ESR1 (0.68) ESR1ESR2NR3C2CES2RAB9A
SCHEMBL2113552 0.89 ESR1 (0.61) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL2112322 0.89 ESR1 (0.61) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL9001714 0.87 NR3C2 (0.62) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL1003807 0.87 NPSR1 (0.61) ESR1ESR2NR3C2CES2ALDH1A1
SCHEMBL2112496 0.86 ESR1 (0.67) ESR1ESR2NR3C2CES2ALDH1A1

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 3/4885NR3C2 37/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885NR3C2 51/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885NR3C2 51/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885NR3C2 51/4885

“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.