SCHEMBL2592602

SCHEMBL2592602

COc1cc(O)c2c(=O)n(-c3ccc(O)cc3)cc(Br)c2c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.74
ESR1 P03372 10/20 0.74
ESRRA P11474 9/20 0.74
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
FLT3 P36888 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14924057 0.89 ESR2 (0.76) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL2586208 0.85 ESR2 (1.00) ESR2ESR1ESRRA
SCHEMBL2594093 0.83 ESR2 (0.72) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL14924032 0.80 ESR2 (0.74) ESR2ESR1ESRRA
SCHEMBL2590217 0.78 ESR2 (0.77) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL18386216 0.78 ESR2 (0.60) ESR2ESR1ESRRA
SCHEMBL13087226 0.78 ESR2 (0.66) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL13097497 0.78 ESR2 (0.66) ESR2ESR1ESRRAKDM4EALDH1A1
SCHEMBL14138429 0.77 ESR2 (0.75) ESR2ESR1ESRRA
SCHEMBL13097761 0.77 ESR2 (0.68) 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 28 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
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 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
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

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-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA ESR2 4/4885ESR1 28/4885ESRRA 3/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 ESR2 511/4885ESR1 168/4885ESRRA 90/4885
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.