SCHEMBL2115257

SCHEMBL2115257

Cc1cc(C)cc(C(=O)N(c2ccc(O)cc2)c2ccc(OCCN3CCCCC3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.60
ESR2 Q92731 14/20 0.60
PSMB1 P20618 2/20 0.53
PSMB5 P28074 2/20 0.53
PSMB2 P49721 1/20 0.53
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.48
PLD2 O14939 1/20 0.48
KDM1A O60341 1/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
C5 P01031 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
FYN P06241 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL2112383 0.90 ESR1 (0.59) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2112820 0.89 ESR1 (0.64) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2115656 0.86 LTA4H (0.62) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2113797 0.85 ESR1 (0.65) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2112716 0.84 LTA4H (0.64) ESR1ESR2PSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL2115234 0.84 ESR1 (0.60) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2112686 0.84 ESR1 (0.59) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2111205 0.84 ESR1 (0.69) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2113940 0.83 KDM4E (0.61) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2112484 0.83 ESR1 (0.61) ESR1ESR2PSMB1PSMB5PSMB2

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 15 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
EP-1954670-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX Inc. (US) 2008-08-13 EP disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US disclosed
WO-2007062230-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2007-05-31 WO 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 ESR1 7/4885ESR2 3/4885PSMB1 1630/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885PSMB1 2111/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885PSMB1 2111/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ESR1 5/4885ESR2 3/4885PSMB1 2111/4885

“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.