SCHEMBL2111092

SCHEMBL2111092

O=C(c1ccc(O)cc1)N(c1ccccc1)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.60
ESR2 Q92731 7/20 0.60
CES2 O00748 1/20 0.44
NR3C2 P08235 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA6 P23280 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL2112355 0.95 ESR1 (0.59) ESR1ESR2NR3C2ALDH1A1CA12
SCHEMBL2113067 0.93 ESR1 (0.51) ESR1ESR2NR3C2ALDH1A1CA12
SCHEMBL2114814 0.89 ESR1 (0.66) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2113060 0.88 ESR1 (0.69) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2112496 0.87 ESR1 (0.67) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL2112860 0.84 ESR1 (0.58) ESR1ESR2NR3C2ALDH1A1CA12
SCHEMBL2113010 0.84 ESR1 (0.64) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL7063113 0.83 PARP1 (0.55) ESR1ESR2ALDH1A1CA12CA1
SCHEMBL2113020 0.82 ESR1 (0.64) ESR1ESR2CES2NR3C2ALDH1A1
SCHEMBL9001693 0.82 NPSR1 (0.61) ESR1ESR2NR3C2ALDH1A1NPSR1

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 3/4885CES2 2413/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885CES2 3485/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885CES2 3485/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885CES2 3485/4885

“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.