SCHEMBL11013545

SCHEMBL11013545

O=C(O)c1cccc2ccc[n+]([O-])c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CDC25B P30305 1/20 0.44
PARP1 P09874 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
KEAP1 Q14145 1/20 0.41
PTPN1 P18031 1/20 0.40
WDR5 P61964 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL8847207 0.76 ALDH1A1 (0.48) NR4A1NR4A2NR4A3HSD17B10ALDH1A1
SCHEMBL8847256 0.75 ALDH1A1 (0.46) NR4A1NR4A2NR4A3HSD17B10ALDH1A1
SCHEMBL2940686 0.73 ALDH1A1 (0.47) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL8536765 0.73 ALDH1A1 (0.44) NR4A1HSD17B10ALDH1A1ALOX15MEN1
SCHEMBL5352485 0.73 MAPT (0.41) HSD17B10ALDH1A1KMT2ATSHRKDM4E
SCHEMBL4136722 0.72 CYP3A4 (0.43) NR4A2PARP1HSD17B10ALDH1A1ALOX15
SCHEMBL9632759 0.72 ALDH1A1 (0.43) HSD17B10ALDH1A1ALOX15MEN1KMT2A
SCHEMBL29239268 0.71 MAPT (0.42) HSD17B10ALDH1A1ALOX15MEN1KMT2A
SCHEMBL29126971 0.71 MAPT (0.42) HSD17B10ALDH1A1ALOX15MEN1KMT2A
SCHEMBL28915804 0.71 MAPT (0.42) HSD17B10ALDH1A1ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085590-B2 Protecting groups for boronic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-07-21 US disclosed
WO-2014153041-A1 PROTECTING GROUPS FOR BORONIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-25 WO disclosed
US-20140275601-A1 PROTECTING GROUPS FOR BORONIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-18 US disclosed
US-4529824-A Vanadium, niobium or tanatlum peroxidic complex INSTITUT FRANCAIS DU PETROLE (FR) 1985-07-16 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 (1 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-20140275601-A1 PROTECTING GROUPS FOR BORONIC ACIDS BRS3, CD79B, NR0B2 NR4A1 12/4885NR4A2 88/4885NR4A3 77/4885

“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.