SCHEMBL2592914

SCHEMBL2592914

COc1ccc(-n2ccc3cc(OC)cc(OC)c3c2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.71
GRM1 Q13255 5/20 0.48
ESR2 Q92731 3/20 0.43
ESRRA P11474 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ABCB1 P08183 1/20 0.41
LCK P06239 2/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
ESR1 P03372 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 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
SCHEMBL2594106 0.85 EGFR (0.78) EGFRGRM1ALDH1A1PDE3BPDE3A
SCHEMBL2586027 0.84 EGFR (0.65) EGFRGRM1ESR2ESRRAALDH1A1
SCHEMBL14924051 0.84 EGFR (0.54) EGFRGRM1ESR2ESRRAALDH1A1
SCHEMBL2594507 0.83 EGFR (0.55) EGFRGRM1ESR2ESRRALCK
SCHEMBL2588545 0.82 EGFR (0.73) EGFRGRM1ESR2ESRRAPDE3B
SCHEMBL3058904 0.81 ESR2 (0.62) EGFRGRM1ESR2ESRRAALDH1A1
SCHEMBL2588516 0.79 EGFR (0.51) EGFRALDH1A1KDM4E
SCHEMBL2589543 0.79 EGFR (0.65) EGFRESR2ESRRAKDM4EESR1
SCHEMBL2586137 0.78 ESRRA (0.47) EGFRGRM1ESRRAKDM4ENPC1
SCHEMBL21526719 0.75 ALDH1A1 (0.53) EGFRALDH1A1KDM4ENPC1RAB9A

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-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
CN-103432133-B The purposes of nuclear receptor binding agents GTX公司 2016-08-10 CN disclosed
US-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 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
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 EGFR 2299/4885GRM1 924/4885ESR2 4/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 EGFR 2700/4885GRM1 3452/4885ESR2 511/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 EGFR 679/4885GRM1 386/4885ESR2 22/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 EGFR 3952/4885GRM1 841/4885ESR2 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.