SCHEMBL9939663

SCHEMBL9939663

COc1c(-c2ccc(C(=O)O)cc2)ccc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.49
ESR1 P03372 4/20 0.49
MIF P14174 1/20 0.46
RXRA P19793 1/20 0.43
CYP2C8 P10632 1/20 0.42
ERN1 O75460 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD17B1 P14061 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 1/20 0.40
SRD5A2 P31213 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL9939715 0.82 MIF (0.49) ESR2ESR1MIFRXRAERN1
SCHEMBL9939026 0.80 P2RY14 (0.60) KDM4EMEN1KMT2ASRD5A2
SCHEMBL9939084 0.79 MIF (0.49) ESR2ESR1MIFERN1HSD17B10
SCHEMBL9939166 0.79 MIF (0.49) ESR2ESR1MIFERN1HSD17B10
SCHEMBL9939226 0.79 ESR2 (0.50) ESR2ESR1MIFRXRAERN1
SCHEMBL4138140 0.77 ESR1 (0.49) ESR2ESR1HSD17B10KDM4EMEN1
SCHEMBL8497041 0.77 ESR1 (0.49) ESR2ESR1MIFHSD17B10KDM4E
SCHEMBL9939194 0.77 ESR1 (0.56) ESR2ESR1MIFRXRACYP2C8
SCHEMBL9939643 0.76 ESR2 (0.49) ESR2ESR1MIFERN1HSD17B10
SCHEMBL9939314 0.74 ESR1 (0.73) ESR2ESR1KDM4EABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US claimed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP claimed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US claimed
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 CN claimed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 WO claimed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 CN disclosed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 WO disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 WO disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 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 (2 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-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR2 599/4885ESR1 908/4885MIF 4722/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR2 599/4885ESR1 908/4885MIF 4722/4885

“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.