SCHEMBL2590217

SCHEMBL2590217

COc1ccc(-n2cc(Br)c3cc(O)ccc3c2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.77
ESR1 P03372 7/20 0.77
ESRRA P11474 6/20 0.77
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 3/20 0.44
THRB P10828 1/20 0.43
HSD17B3 P37058 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2594093 0.92 ESR2 (0.72) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL2588840 0.89 ESRRA (0.62) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL2584478 0.87 ESR1 (1.00) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL13086952 0.86 ESR2 (0.71) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL13087004 0.84 KDM4E (0.54) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL2586078 0.82 ESR1 (0.83) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL14924057 0.82 ESR2 (0.76) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL2589775 0.82 ESRRA (1.00) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL13097354 0.82 ALDH1A1 (0.52) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL14915837 0.82 ESRRA (0.54) ESR2ESR1ESRRAKDM4EALDH1A1

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 26 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-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
US-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 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
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
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 ESR2 4/4885ESR1 28/4885ESRRA 3/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 ESR2 22/4885ESR1 63/4885ESRRA 4/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESR2 16/4885ESR1 145/4885ESRRA 11/4885

“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.