SCHEMBL2589543

SCHEMBL2589543

COc1cc(O)c2c(=O)n(-c3ccc(O)cc3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.65
ESR2 Q92731 10/20 0.61
ESR1 P03372 7/20 0.61
ESRRA P11474 4/20 0.52
FLT3 P36888 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
KDM4E B2RXH2 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
MAOA P21397 1/20 0.40

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
SCHEMBL2586027 0.94 EGFR (0.65) EGFRESR2ESR1ESRRAKDM4E
SCHEMBL2592130 0.86 EGFR (0.62) EGFRESR2ESR1ESRRAMAOA
SCHEMBL2582121 0.84 ESR2 (0.56) EGFRESR2ESR1ESRRA
SCHEMBL14924053 0.81 EGFR (0.51) EGFRESR2ESR1ESRRAKDM4E
SCHEMBL2592914 0.79 EGFR (0.71) EGFRESR2ESR1ESRRAFLT3
SCHEMBL2588545 0.76 EGFR (0.73) EGFRESR2ESR1ESRRA
SCHEMBL5127319 0.76 ESR2 (1.00) ESR2ESR1
SCHEMBL3834552 0.75 ESRRA (0.58) EGFRESR2ESR1ESRRAKDM4E
SCHEMBL3058904 0.75 ESR2 (0.62) EGFRESR2ESR1ESRRAKDM4E
SCHEMBL2592602 0.75 ESR2 (0.74) ESR2ESR1ESRRAFLT3MKNK2

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 14 patents. 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-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 EGFR 2299/4885ESR2 4/4885ESR1 28/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 EGFR 2915/4885ESR2 42/4885ESR1 375/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 EGFR 2700/4885ESR2 511/4885ESR1 168/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 EGFR 679/4885ESR2 22/4885ESR1 63/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 EGFR 3952/4885ESR2 16/4885ESR1 145/4885

“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.