SCHEMBL866939

SCHEMBL866939

COc1ccc(Nc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
BCHE P06276 2/20 0.60
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
AR P10275 4/20 0.58
HPGD P15428 1/20 0.58
MAOB P27338 1/20 0.57

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
SCHEMBL11714868 0.89 MEN1 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL791985 0.89 MAOB (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9703808 0.88 EGFR (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8737849 0.86 AR (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Benzylphenylether SCHEMBL28164613 0.85 MAOB (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19382100 0.85 AR (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2113895 0.84 CYP1A2 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8845456 0.84 LTA4H (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL553770 0.83 APP (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1465278 0.83 KMT2A (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 US disclosed
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-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-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-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
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
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
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
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 (6 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 NPC1 1575/4885RAB9A 4458/4885SMN1; SMN2 4770/4885
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 NPC1 886/4885RAB9A 3825/4885SMN1; SMN2 4468/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 NPC1 1103/4885RAB9A 3636/4885SMN1; SMN2 2521/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 NPC1 1103/4885RAB9A 3636/4885SMN1; SMN2 2521/4885
US-20100267773-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, GNRHR, FSHR NPC1 2417/4885RAB9A 4045/4885SMN1; SMN2 4863/4885
US-20150087712-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF SHBG, AR, NR5A1 NPC1 1645/4885RAB9A 3876/4885SMN1; SMN2 4531/4885

“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.