SCHEMBL866446

SCHEMBL866446

COc1ccc(N(C(=O)c2ccc3ccccc3c2)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
POLB P06746 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAOB P27338 2/20 0.52
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALOX5 P09917 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL2113301 0.90 RAB9A (0.61) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL2111172 0.90 RAB9A (0.61) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL11874722 0.89 RAB9A (0.59) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL18745295 0.88 ESR1 (0.70) ESR1ESR2RAB9ANPC1POLB
SCHEMBL2113612 0.86 ALOX5 (0.61) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL2112612 0.85 NPC1 (0.54) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL13116678 0.84 ESR1 (0.62) ESR1ESR2RAB9ANPC1ALDH1A1
SCHEMBL2112971 0.83 MAOB (0.57) RAB9ASMN1; SMN2NPC1POLBMRGPRX4
SCHEMBL11877158 0.81 NR4A1 (0.66) SMN1; SMN2MAOBNR4A1NR4A2NR4A3
SCHEMBL2111140 0.81 RAB9A (0.48) RAB9ASMN1; SMN2NPC1POLBMRGPRX4

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
US-9427418-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-30 US disclosed
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-9051267-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2015-06-09 US disclosed
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2015-03-26 US disclosed
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2015-03-26 US disclosed
CN-103957706-A Estrogen receptor ligands and methods of use thereof GTX INC 2014-07-30 CN disclosed
US-20140187641-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF Gtx (US) 2014-07-03 US disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
CN-102413692-A Estrogen receptor ligands and methods of use thereof GTX INC 2012-04-11 CN disclosed
US-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2012-03-29 US disclosed
WO-2011106317-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2011-09-01 WO disclosed
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2010-10-21 US disclosed
WO-2010096801-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. (US) 2010-08-26 WO 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 (7 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-20120077845-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GNRHR, LHCGR, SHBG ESR1 21/4885ESR2 15/4885RAB9A 4458/4885
US-20140187641-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 ESR1 26/4885ESR2 18/4885RAB9A 3876/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 ESR1 7/4885ESR2 3/4885RAB9A 3825/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885RAB9A 3636/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885RAB9A 3636/4885
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, GNRHR, FSHR ESR1 10/4885ESR2 9/4885RAB9A 4045/4885
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 ESR1 26/4885ESR2 18/4885RAB9A 3876/4885

“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.