SCHEMBL2113632

SCHEMBL2113632

CC(O)(Cc1ccc(O)cc1)C(=O)Nc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
ESR1 P03372 3/20 0.48
BLM P54132 1/20 0.47
MAPT P10636 4/20 0.47
CYP1A1 P04798 2/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
NR1I2 O75469 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MB P02144 1/20 0.47
CA3 P07451 1/20 0.47
CYP3A4 P08684 1/20 0.47
RARG P13631 1/20 0.47
TSHR P16473 1/20 0.47
ALOX5AP P20292 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 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
SCHEMBL2112262 1.00 L3MBTL1 (0.48) L3MBTL1ESR1BLMMAPTCYP1A1
SCHEMBL2113029 0.83 PDK1 (0.60) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2113031 0.83 PDK1 (0.60) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2113063 0.81 AR (0.56) L3MBTL1MAPTCYP1A1MEN1CA12
SCHEMBL2113065 0.81 AR (0.56) L3MBTL1MAPTCYP1A1MEN1CA12
SCHEMBL30620914 0.80 PDK1 (0.52) L3MBTL1MAPTMEN1KMT2ANR1H4
SCHEMBL30620908 0.80 GAA (0.58) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL14527069 0.80 ESR1 (0.48) L3MBTL1ESR1BLMMAPTCYP1A1
SCHEMBL30620909 0.80 MMP8 (0.55) L3MBTL1MAPTMEN1ALDH1A1CYP3A4
SCHEMBL4582313 0.78 ESR1 (0.59) ESR1BLMMEN1CA2TSHR

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
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 L3MBTL1 3962/4885ESR1 7/4885BLM 3989/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 L3MBTL1 3608/4885ESR1 5/4885BLM 4736/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 L3MBTL1 3608/4885ESR1 5/4885BLM 4736/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 L3MBTL1 3608/4885ESR1 5/4885BLM 4736/4885

“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.