SCHEMBL2115067

SCHEMBL2115067

O=C(c1ccccc1)N(c1ccccc1)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.67
PSMB1 P20618 6/20 0.64
PSMB5 P28074 5/20 0.64
PSMB2 P49721 3/20 0.60
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.57
ESR1 P03372 2/20 0.57
HRH4 Q9H3N8 1/20 0.56
TDP1 Q9NUW8 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
SCHEMBL11879052 1.00 LTA4H (0.67) LTA4HPSMB1PSMB5PSMB2KDM4E
Hydrochloric Acid SCHEMBL6123297 0.99 LTA4H (0.65) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL11873434 0.99 LTA4H (0.68) LTA4HPSMB1PSMB5PSMB2KDM4E
Hydrochloric Acid SCHEMBL2112770 0.98 LTA4H (0.67) LTA4HPSMB1PSMB5PSMB2KDM4E
Hydrochloric Acid SCHEMBL2112357 0.96 LTA4H (0.65) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL11876714 0.96 LTA4H (0.68) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL11881498 0.95 LTA4H (0.70) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL2115656 0.94 LTA4H (0.62) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL11873436 0.93 DRD3 (0.61) LTA4HPSMB1PSMB5PSMB2KDM4E
SCHEMBL2112716 0.93 LTA4H (0.64) LTA4HPSMB1PSMB5PSMB2KDM4E

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 9 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 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
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
US-3960886-A Substituted N-arylanilines STERLING DRUG INC. (US) 1976-06-01 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 488/4885PSMB1 1630/4885PSMB5 1496/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 LTA4H 2819/4885PSMB1 2111/4885PSMB5 1413/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 LTA4H 2819/4885PSMB1 2111/4885PSMB5 1413/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 LTA4H 2819/4885PSMB1 2111/4885PSMB5 1413/4885

“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.