SCHEMBL2594824

SCHEMBL2594824

COc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)c2c(=O)n(-c3ccc(OC(=O)c4ccc(C(F)(F)F)cc4)c(F)c3)cc(Br)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.45
ESR2 Q92731 3/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 2/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.35
PTPN11 Q06124 1/20 0.35
ESR1 P03372 2/20 0.35
EGFR P00533 1/20 0.35
AKR1C3 P42330 2/20 0.35
THRB P10828 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL3068462 0.92 ESR2 (0.53) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL2594823 0.88 ESR2 (0.39) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL15026343 0.86 ESRRA (0.41) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL15305094 0.85 KDM4E (0.49) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL3062221 0.83 EGFR (0.54) TP53KMT2AEGFRCYP1A1CYP1B1
SCHEMBL14924033 0.83 ALDH1A1 (0.47) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL3063674 0.81 NPBWR1 (0.42) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL13097219 0.75 ESRRA (0.48) ESRRAESR2ALDH1A1KDM4ETP53
SCHEMBL2588516 0.74 EGFR (0.51) ALDH1A1KDM4ETP53KMT2APTPN11
SCHEMBL3062219 0.73 EGFR (0.43) ALDH1A1KDM4ETP53HSD17B10PTPN11

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 15 patents. 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-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 US disclosed
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS VA Long Beach Healthcare System (US) 2013-06-13 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

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

For each of this compound's patents that has machine-readable text (3 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 3/4885ESR2 4/4885ALDH1A1 1489/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 ESRRA 16/4885ESR2 42/4885ALDH1A1 1844/4885
US-20100267767-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP1, FABP4, ADIPOR2 ESRRA 11/4885ESR2 16/4885ALDH1A1 2373/4885

“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.