SCHEMBL2331243

SCHEMBL2331243

CCOC(=O)c1ccc(-c2c(CC(C)C)oc3cc(OC(=O)CC(C)C)ccc3c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.45
▸ MAPT P10636 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ TNKS O95271 1/20 0.42
▸ GAA P10253 4/20 0.41
▸ GLA P06280 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGER1 P34995 1/20 0.38

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
SCHEMBL2333853 0.79 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL7706009 0.74 ESR1 (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL2330828 0.73 PPARG (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL2334416 0.71 PPARG (0.55) ALDH1A1MAPTKMT2AMAPK1LMNA
SCHEMBL2332179 0.70 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL13836188 0.70 MAPT (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL2332646 0.70 ACP1 (0.53) ALDH1A1MAPTKMT2AMAPK1NPSR1
SCHEMBL14156919 0.70 HPGD (0.59) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL2331982 0.70 KMT2A (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL2334482 0.69 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2MAPK1

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 ALDH1A1 363/4885MAPT 3897/4885KMT2A 3462/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885MAPT 3897/4885KMT2A 3462/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885MAPT 3897/4885KMT2A 3462/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 ALDH1A1 363/4885MAPT 3897/4885KMT2A 3462/4885

“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.

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