SCHEMBL6831082

SCHEMBL6831082

CCOC(=O)C=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 1/20 0.56
HSP90AA1 P07900 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
CCR6 P51684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
ATM Q13315 1/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HTT P42858 3/20 0.52
TP53 P04637 1/20 0.51
GLO1 Q04760 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL6836012 0.96 MEN1 (0.53) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL11224523 0.96 MEN1 (0.53) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL6836014 0.96 MEN1 (0.53) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL6834281 0.90 TBXAS1 (0.58) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL6831029 0.90 TBXAS1 (0.58) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL6831033 0.90 TBXAS1 (0.58) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL7941247 0.88 ALDH1A1 (0.56) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL11099791 0.88 ALDH1A1 (0.56) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL11099790 0.88 ALDH1A1 (0.56) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL8942551 0.87 ALDH1A1 (0.55) KMT2AMEN1NPC1HSP90AA1PKM

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-20040029928-A1 Novel propenohydroxamic acid derivatives WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
EP-1314721-A1 NOVEL PROPENOHYDROXAMIC ACID DERIVATIVES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP 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-20040029928-A1 Novel propenohydroxamic acid derivatives TNF, SI, HDGF KMT2A 3817/4885MEN1 2627/4885NPC1 2393/4885

“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.