SCHEMBL2113067

SCHEMBL2113067

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.51
ESR2 Q92731 4/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50
NR3C2 P08235 2/20 0.49
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
EGLN2 Q96KS0 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2111092 0.93 ESR1 (0.60) ESR1ESR2CA12CA1CA2
SCHEMBL2112860 0.91 ESR1 (0.58) ESR1ESR2CA12CA1CA2
SCHEMBL2112355 0.88 ESR1 (0.59) ESR1ESR2CA12CA1CA2
SCHEMBL2112496 0.86 ESR1 (0.67) ESR1ESR2CA12CA1CA2
SCHEMBL1003807 0.84 NPSR1 (0.61) ESR1ESR2NR3C2ALDH1A1TSHR
SCHEMBL11410480 0.83 ALDH1A1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL2113010 0.83 ESR1 (0.64) ESR1ESR2NR3C2ALDH1A1NPSR1
SCHEMBL7063113 0.83 PARP1 (0.55) ESR1ESR2CA12CA1CA2
SCHEMBL9001691 0.83 ESR1 (0.54) ESR1ESR2NR3C2ALDH1A1TSHR
SCHEMBL2113020 0.81 ESR1 (0.64) 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 3/4885CA12 3794/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885CA12 4303/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885CA12 4303/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885CA12 4303/4885

“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.