SCHEMBL13835591

SCHEMBL13835591

COC(=O)c1ccc(-c2c(C(C)(F)F)oc3cc(O)ccc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.60
ESR2 Q92731 6/20 0.60
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PSD A5PKW4 1/20 0.44
TTR P02766 1/20 0.43
PPARG P37231 1/20 0.43
AR P10275 1/20 0.42
NPC1 O15118 1/20 0.42
KDM5A P29375 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ABCB1 P08183 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL2327901 0.88 ESR1 (0.63) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2334837 0.81 ESR1 (0.67) ESR1ESR2ALDH1A1HPGDLMNA
SCHEMBL2334656 0.78 ESR1 (0.77) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2329046 0.78 ESR1 (0.58) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2334006 0.78 ESR1 (0.72) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2330952 0.78 ESR1 (0.62) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2182106 0.77 ESR1 (0.90) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2331643 0.77 ESR1 (0.71) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2335169 0.76 ESR1 (0.69) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL2336014 0.76 ESR1 (0.60) ESR1ESR2ALDH1A1HPGDHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 US disclosed
EP-2533637-B1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS INC (US) 2014-03-26 EP disclosed
US-8669381-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-8481590-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885ESR2 695/4885ALDH1A1 363/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885ESR2 695/4885ALDH1A1 363/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885ESR2 695/4885ALDH1A1 363/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ESR1 768/4885ESR2 695/4885ALDH1A1 363/4885

“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.