SCHEMBL2113101

SCHEMBL2113101

O=C(c1ccc(O)cc1)N(c1ccc(OCCN2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
ESR1 P03372 9/20 0.58
ESR2 Q92731 6/20 0.58
HRH3 Q9Y5N1 6/20 0.56
KCNH2 Q12809 3/20 0.56
HRH4 Q9H3N8 2/20 0.56
HRH1 P35367 2/20 0.56
PSMB1 P20618 2/20 0.56
PSMB5 P28074 2/20 0.56
ESRRG P62508 2/20 0.55
PSMB2 P49721 1/20 0.55

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
SCHEMBL2112587 1.00 LTA4H (0.60) LTA4HESR1ESR2HRH3KCNH2
Hydrochloric Acid SCHEMBL2115234 0.94 ESR1 (0.60) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL2115656 0.94 LTA4H (0.62) LTA4HESR1ESR2PSMB1PSMB5
SCHEMBL2112716 0.92 LTA4H (0.64) LTA4HESR1ESR2HRH4PSMB1
SCHEMBL2112820 0.92 ESR1 (0.64) LTA4HESR1ESR2KCNH2PSMB1
Hydrochloric Acid SCHEMBL2112357 0.89 LTA4H (0.65) LTA4HESR1HRH4PSMB1PSMB5
SCHEMBL11876714 0.89 LTA4H (0.68) LTA4HESR1HRH4PSMB1PSMB5
SCHEMBL2115067 0.88 LTA4H (0.67) LTA4HESR1HRH4PSMB1PSMB5
SCHEMBL11879052 0.88 LTA4H (0.67) LTA4HESR1HRH4PSMB1PSMB5
Hydrochloric Acid SCHEMBL2112770 0.88 LTA4H (0.67) LTA4HESR1HRH4PSMB1PSMB5

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 LTA4H 488/4885ESR1 7/4885ESR2 3/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 LTA4H 2819/4885ESR1 5/4885ESR2 3/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 LTA4H 2819/4885ESR1 5/4885ESR2 3/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 LTA4H 2819/4885ESR1 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.