SCHEMBL2589775

SCHEMBL2589775

COc1ccc(-c2cn(-c3ccc(O)cc3)c(=O)c3ccc(O)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 1.00
ESR1 P03372 5/20 0.73
ESR2 Q92731 5/20 0.73
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOD2 Q9HC29 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
BCL2 P10415 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
MAOA P21397 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
SCHEMBL14916041 0.89 ESR1 (0.86) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL2588190 0.84 ESR1 (1.00) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14916063 0.84 ESRRA (0.73) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14924117 0.83 ESRRA (0.71) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14915834 0.83 ESRRA (0.71) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL2591786 0.83 ESR2 (1.00) ESRRAESR1ESR2KDM4EALDH1A1
SCHEMBL14915808 0.82 ESR1 (0.74) ESRRAESR1ESR2
SCHEMBL2594366 0.82 ESRRA (0.70) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL2590217 0.82 ESR2 (0.77) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14916248 0.81 ESR1 (0.69) ESRRAESR1ESR2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US claimed
EP-2647376-A1 Nuclear receptor binding agents Gtx, Inc. (US) 2013-10-09 EP claimed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US claimed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 US disclosed
EP-2566330-A1 NUCLEAR RECEPTOR BINDING AGENTS Gtx, Inc. (US) 2013-03-13 EP disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
WO-2011140228-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2011-11-10 WO disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2010-10-21 US disclosed
EP-2106212-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, Inc. (US) 2009-10-07 EP disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 US disclosed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 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 (3 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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA ESRRA 3/4885ESR1 28/4885ESR2 4/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 ESRRA 4/4885ESR1 63/4885ESR2 22/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESRRA 11/4885ESR1 145/4885ESR2 16/4885

“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.