SCHEMBL2113799

SCHEMBL2113799

O=C(c1cccc2ccccc12)N(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.58
ESR2 Q92731 4/20 0.58
DEGS1 O15121 1/20 0.54
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTPN1 P18031 3/20 0.45
CDC25B P30305 1/20 0.45
PLK1 P53350 1/20 0.45
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL9548533 0.88 NR4A1 (0.60) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9480896 0.77 NR4A1 (0.55) DEGS1NR4A1NR4A2NR4A3MMP3
SCHEMBL2112581 0.76 ESR1 (0.50) ESR1ESR2DEGS1NR4A1NR4A2
SCHEMBL2111847 0.76 ESR1 (0.57) ESR1ESR2DEGS1PTPN1
SCHEMBL11833560 0.76 NR4A1 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8
Hydrochloric Acid SCHEMBL11865419 0.75 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2230795 0.74 NR4A1 (0.61) DEGS1NR4A1NR4A2NR4A3MMP3
SCHEMBL2113086 0.74 MAPT (0.56) ESR1ESR2CDC25BPLK1ALDH1A1
SCHEMBL5382022 0.74 LIG1 (0.61) ESR1ESR2DEGS1NR4A1NR4A2
SCHEMBL2115638 0.73 ESR1 (1.00) ESR1ESR2ALDH1A1HPGDKMT2A

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 ESR1 7/4885ESR2 3/4885DEGS1 4492/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885DEGS1 4635/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885DEGS1 4635/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885DEGS1 4635/4885

“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.