SCHEMBL6519441

SCHEMBL6519441

CC(C)(C)OC(=O)[N+]1([O-])CCC(=NO)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL569888 0.76 DGAT1 (0.31)
SCHEMBL2785917 0.76 DGAT1 (0.31)
SCHEMBL5421441 0.74 HPGD (0.31)
SCHEMBL136090 0.74 HPGD (0.31)
SCHEMBL6504809 0.69 CHRM2 (0.31)
SCHEMBL3247299 0.69
SCHEMBL1975008 0.67 DGAT1 (0.30)
SCHEMBL417717 0.66 USP2 (0.51) ALDH1A1KMT2A
SCHEMBL8984073 0.64
SCHEMBL19409482 0.62 MAPK1 (0.38) ALDH1A1KMT2A

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-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 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-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP ALDH1A1 4231/4885KMT2A 1064/4885

“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.