SCHEMBL2113098

SCHEMBL2113098

COc1ccc(N(C(=O)c2ccc(Cl)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.56
TP53 P04637 3/20 0.53
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
PTGS2 P35354 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2112877 0.92 ESR2 (0.58) HPGDALDH1A1TP53ESR1ESR2
SCHEMBL2113482 0.92 ESR2 (0.58) HPGDALDH1A1TP53ESR1ESR2
SCHEMBL11874843 0.87 KDM4E (0.63) HPGDALDH1A1ESR1ESR2SMN1; SMN2
SCHEMBL2112462 0.86 KDM4E (0.59) HPGDALDH1A1TP53MAPTMEN1
SCHEMBL2112372 0.83 ESR1 (0.51) HPGDTP53ESR1ESR2HSP90AA1
SCHEMBL2111353 0.83 KDM4E (0.55) HPGDALDH1A1ESR1ESR2MEN1
SCHEMBL2112612 0.82 NPC1 (0.54) TP53SMN1; SMN2NPC1MAOBMAOA
SCHEMBL4555534 0.82 HPGD (0.60) HPGDALDH1A1TP53PTGS2SMN1; SMN2
SCHEMBL2113035 0.82 ESR2 (0.48) HPGDALDH1A1ESR1ESR2SMN1; SMN2
SCHEMBL11875597 0.81 ESR1 (0.60) ALDH1A1ESR1ESR2PTGS2NPC1

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 HPGD 836/4885ALDH1A1 2700/4885TP53 2670/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HPGD 1070/4885ALDH1A1 3644/4885TP53 3001/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 HPGD 1070/4885ALDH1A1 3644/4885TP53 3001/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 HPGD 1070/4885ALDH1A1 3644/4885TP53 3001/4885

“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.