SCHEMBL2113940

SCHEMBL2113940

CC(C)(C)c1ccc(C(=O)N(c2ccc(O)cc2)c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ESR1 P03372 5/20 0.58
ESR2 Q92731 4/20 0.58
PSMB1 P20618 5/20 0.56
PSMB5 P28074 5/20 0.56
HRH3 Q9Y5N1 4/20 0.56
PSMB2 P49721 4/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 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
SCHEMBL2112820 0.92 ESR1 (0.64) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2112720 0.90 ESR1 (0.66) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2112383 0.89 ESR1 (0.59) KDM4EESR1ESR2PSMB1PSMB5
Hydrochloric Acid SCHEMBL2115234 0.86 ESR1 (0.60) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2111205 0.86 ESR1 (0.69) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2115656 0.86 LTA4H (0.62) KDM4EESR1ESR2PSMB1PSMB5
Hydrochloric Acid SCHEMBL2113578 0.85 ESR1 (0.68) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2112716 0.85 LTA4H (0.64) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2112306 0.85 ESR1 (0.62) KDM4EESR1ESR2PSMB1PSMB5
SCHEMBL2112583 0.84 ESR1 (0.57) KDM4EESR1ESR2PSMB1PSMB5

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 12 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
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 KDM4E 3063/4885ESR1 7/4885ESR2 3/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 KDM4E 1462/4885ESR1 5/4885ESR2 3/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 KDM4E 1462/4885ESR1 5/4885ESR2 3/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 KDM4E 1462/4885ESR1 5/4885ESR2 3/4885

“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.