SCHEMBL3834552

SCHEMBL3834552

COc1ccc(-n2ccc3cc(O)ccc3c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.58
ESR1 P03372 5/20 0.48
ESR2 Q92731 4/20 0.46
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
EGFR P00533 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GRM1 Q13255 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP1 P29466 1/20 0.42
AHR P35869 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
SCHEMBL2586137 0.88 ESRRA (0.47) ESRRAMAPTLMNAEGFRKDM4E
SCHEMBL2585303 0.87 ESR1 (0.54) ESRRAESR1ESR2TDP1PKM
SCHEMBL28590541 0.83 MIF (0.48) ESRRAMAPTLMNAEGFRTSHR
SCHEMBL14924013 0.83 ESRRA (0.46) ESRRAMAPTLMNAGRM1TP53
SCHEMBL14434972 0.83 MAOB (0.47) ESRRAESR1ESR2MAPTLMNA
SCHEMBL1548207 0.81 ESR1 (0.46) ESRRAESR1ESR2HSD17B10ATM
SCHEMBL14915776 0.81 MIF (0.48) ESRRAMAPTLMNAEGFRKDM4E
SCHEMBL28592553 0.81 MIF (0.54) ESRRAMAPTLMNAEGFRKDM4E
SCHEMBL14434978 0.80 ESR1 (0.47) ESRRAESR1ESR2LMNAKDM4E
SCHEMBL28593371 0.80 KDM4E (0.47) MAPTEGFRKDM4EL3MBTL1HPGD

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 21 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-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
EP-2647376-A1 Nuclear receptor binding agents Gtx, Inc. (US) 2013-10-09 EP disclosed
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 US 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
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 (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 ESRRA 3/4885ESR1 28/4885ESR2 4/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 ESRRA 90/4885ESR1 168/4885ESR2 511/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 ESRRA 4/4885ESR1 63/4885ESR2 22/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESRRA 11/4885ESR1 145/4885ESR2 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.