SCHEMBL2332646

SCHEMBL2332646

CCOC(=O)c1ccc(-c2c(Cc3ccccc3)oc3cc(O)ccc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 2/20 0.52
PPARG P37231 1/20 0.51
AKR1B1 P15121 2/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
TNKS O95271 1/20 0.47
GAA P10253 2/20 0.47
HSD17B3 P37058 2/20 0.47
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
PTPN1 P18031 3/20 0.47
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2336235 0.87 ACP1 (0.60) ACP1ALDH1A1KDM4EPPARGESR1
SCHEMBL2330828 0.86 PPARG (0.54) ALDH1A1TSHRKDM4EPPARGAKR1B1
SCHEMBL2334482 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EPPARGAKR1B1
SCHEMBL4681189 0.79 ALDH1A1 (0.73) ALDH1A1TSHRKDM4EAKR1B1GAA
SCHEMBL2334837 0.79 ESR1 (0.67) ALDH1A1TSHRKDM4EPPARGAKR1B1
SCHEMBL11553562 0.76 ALDH1A1 (0.62) ALDH1A1TSHRKDM4ETNKSGAA
SCHEMBL2337021 0.75 PPARG (0.56) ACP1ALDH1A1KDM4EPPARGESR1
SCHEMBL10624618 0.74 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ETNKSGAA
SCHEMBL3646805 0.73 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EAKR1B1GAA
SCHEMBL9147000 0.73 AKR1B1 (0.58) ALDH1A1TSHRKDM4EAKR1B1ESR1

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 10 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
EP-2533637-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 US disclosed
WO-2011099978-A1 CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2011-08-18 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ACP1 3228/4885ALDH1A1 363/4885TSHR 887/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ACP1 3228/4885ALDH1A1 363/4885TSHR 887/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ACP1 3228/4885ALDH1A1 363/4885TSHR 887/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ACP1 3228/4885ALDH1A1 363/4885TSHR 887/4885

“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.