SCHEMBL18486262

SCHEMBL18486262

CC(=O)CCC(C)(CCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SLC15A2 Q16348 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.36
ALDH1A1 P00352 5/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL15570883 0.92 LMNA (0.44) LMNASLC15A2MEN1KMT2AHIF1A
SCHEMBL3574845 0.82 ALDH1A1 (0.42) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL9348946 0.81 MEN1 (0.39) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL17281804 0.80 TSHR (0.40) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL11373249 0.79 PPARG (0.47) MEN1KMT2AALDH1A1ESR1TSHR
SCHEMBL15443091 0.75 LMNA (0.44) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL9334375 0.75 ALDH1A1 (0.47) LMNASLC15A2MEN1KMT2AHIF1A
SCHEMBL44822 0.75 ALDH1A1 (0.47) LMNASLC15A2MEN1KMT2AHIF1A
SCHEMBL3998009 0.74 LMNA (0.48) LMNASLC15A2MEN1KMT2AHIF1A
SCHEMBL4162551 0.74 LMNA (0.48) LMNASLC15A2MEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708242-B2 Method of manufacturing nitrone compound NATIONAL CHUNG CHENG UNIVERSITY (TW) 2017-07-18 US disclosed
US-20170036989-A1 Method of Manufacturing Nitrone Compound NATIONAL CHUNG CHENG UNIVERSITY 2017-02-09 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-20170036989-A1 Method of Manufacturing Nitrone Compound NOS1, NOS2, NOX5 LMNA 804/4885SLC15A2 4551/4885MEN1 2003/4885

“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.