SCHEMBL2586137

SCHEMBL2586137

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GRM1 Q13255 5/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 2/20 0.44
LCK P06239 1/20 0.43
KIT P10721 1/20 0.43
SRC P12931 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA6 Q16445 1/20 0.43
MIF P14174 2/20 0.43
GRM5 P41594 1/20 0.43
PMM2 O15305 1/20 0.43

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
SCHEMBL14915776 0.91 MIF (0.48) ESRRAMAPTKDM4EMEN1KMT2A
SCHEMBL28592553 0.91 MIF (0.54) ESRRAMAPTKDM4EMEN1KMT2A
SCHEMBL28593371 0.91 KDM4E (0.47) MAPTKDM4EMEN1KMT2AEGFR
SCHEMBL14915984 0.89 ALDH1A1 (0.46) ESRRAMAPTKDM4EMEN1KMT2A
SCHEMBL14924407 0.89 MAOB (0.45) ESRRAMAPTKDM4EMEN1KMT2A
SCHEMBL28590541 0.88 MIF (0.48) ESRRAMAPTGRM1EGFRLMNA
SCHEMBL3834552 0.88 ESRRA (0.58) ESRRAMAPTKDM4EMEN1KMT2A
SCHEMBL14158066 0.87 ALDH1A1 (0.52) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL1548432 0.87 HTT (0.46) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL14924013 0.85 ESRRA (0.46) ESRRAMAPTGRM1LMNAMETAP2

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 25 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
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-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
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-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 ESRRA 3/4885MAPT 4533/4885KDM4E 1789/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 ESRRA 90/4885MAPT 2354/4885KDM4E 901/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 ESRRA 4/4885MAPT 1572/4885KDM4E 4528/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESRRA 11/4885MAPT 2024/4885KDM4E 3216/4885

“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.