SCHEMBL2586078

SCHEMBL2586078

O=c1c2ccc(O)cc2c(Br)cn1-c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.83
ESR2 Q92731 10/20 0.83
ESRRA P11474 8/20 0.83
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2584478 0.91 ESR1 (1.00) ESR1ESR2ESRRAKDM4EALDH1A1
SCHEMBL2591935 0.85 ESR1 (0.72) ESR1ESR2ESRRA
SCHEMBL2590217 0.82 ESR2 (0.77) ESR1ESR2ESRRALMNAKDM4E
SCHEMBL14924127 0.82 ESR1 (0.57) ESR1ESR2ESRRALMNAKDM4E
SCHEMBL2589073 0.81 ESR1 (0.76) ESR1ESR2ESRRAKDM4EMEN1
SCHEMBL14915837 0.80 ESRRA (0.54) ESR1ESR2ESRRALMNAKDM4E
SCHEMBL2584396 0.80 ESR1 (0.72) ESR1ESR2ESRRALMNAKDM4E
SCHEMBL13086952 0.79 ESR2 (0.71) ESR1ESR2ESRRALMNAKDM4E
SCHEMBL2594093 0.77 ESR2 (0.72) ESR1ESR2ESRRALMNAKDM4E
SCHEMBL15506554 0.77 ESRRA (0.65) ESR1ESR2ESRRALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 US disclosed
EP-2647376-A1 Nuclear receptor binding agents Gtx, Inc. (US) 2013-10-09 EP disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ESR1 28/4885ESR2 4/4885ESRRA 3/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 ESR1 375/4885ESR2 42/4885ESRRA 16/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 ESR1 168/4885ESR2 511/4885ESRRA 90/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 ESR1 63/4885ESR2 22/4885ESRRA 4/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESR1 145/4885ESR2 16/4885ESRRA 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.