SCHEMBL2594366

SCHEMBL2594366

COc1ccc(-n2cc(-c3ccccc3)c3cc(OC)ccc3c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.70
ESR1 P03372 3/20 0.62
ESR2 Q92731 3/20 0.62
MAPT P10636 6/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.51
BRD4 O60885 1/20 0.50
TP53 P04637 5/20 0.49
LMNA P02545 2/20 0.49
KCNH2 Q12809 2/20 0.49
KCNA5 P22460 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49

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
SCHEMBL14924107 0.88 ESRRA (0.65) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14915834 0.85 ESRRA (0.71) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14916116 0.85 ESRRA (0.67) ESRRAESR1ESR2MAPTTP53
SCHEMBL14915703 0.85 ESRRA (0.67) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14915991 0.84 ESRRA (0.65) ESRRAESR1ESR2MAPTTP53
SCHEMBL3103150 0.82 BRD4 (0.72) MAPTKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL2589775 0.82 ESRRA (1.00) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14924117 0.80 ESRRA (0.71) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14916066 0.80 ESRRA (0.60) ESRRAESR1ESR2MAPTKDM4E
SCHEMBL14915836 0.78 ESRRA (0.56) ESRRAESR1ESR2MAPTKDM4E

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-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-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
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-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 (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 ESRRA 3/4885ESR1 28/4885ESR2 4/4885
US-20130150403-A1 NUCLEAR RECEPTOR BINDING AGENTS FABP3, NCOR1, NR3C2 ESRRA 16/4885ESR1 375/4885ESR2 42/4885
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.