SCHEMBL2113612

SCHEMBL2113612

COc1ccc(C(=O)N(c2ccc(OCc3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.61
PTGES O14684 3/20 0.61
RAB9A P51151 3/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
MAOB P27338 2/20 0.54
LTC4S Q16873 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51

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
SCHEMBL2111172 0.95 RAB9A (0.61) ALOX5PTGESRAB9APOLBSMN1; SMN2
SCHEMBL2113301 0.95 RAB9A (0.61) ALOX5PTGESRAB9APOLBSMN1; SMN2
SCHEMBL11874722 0.94 RAB9A (0.59) ALOX5PTGESRAB9APOLBSMN1; SMN2
SCHEMBL2112612 0.89 NPC1 (0.54) ALOX5PTGESRAB9APOLBSMN1; SMN2
SCHEMBL2112971 0.87 MAOB (0.57) ALOX5PTGESRAB9APOLBSMN1; SMN2
SCHEMBL2111353 0.86 KDM4E (0.55) ALOX5PTGESRAB9APOLBNPC1
SCHEMBL866446 0.86 ESR1 (0.59) ALOX5RAB9APOLBSMN1; SMN2NPC1
SCHEMBL11877158 0.86 NR4A1 (0.66) ALOX5PTGESSMN1; SMN2MAOBALDH1A1
SCHEMBL11874704 0.84 NR4A2 (0.59) ALOX5PTGESRAB9ASMN1; SMN2NPC1
SCHEMBL12648779 0.83 HPGD (0.54) RAB9ANPC1TP53PARP10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5 247/4885PTGES 189/4885RAB9A 3825/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ALOX5 1403/4885PTGES 458/4885RAB9A 3636/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 ALOX5 1403/4885PTGES 458/4885RAB9A 3636/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 ALOX5 1403/4885PTGES 458/4885RAB9A 3636/4885

“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.