SCHEMBL4267490

SCHEMBL4267490

CCCN1C=CN(CC)C=C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4269999 0.90 ALDH1A1 (0.39) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL4267875 0.83 ALDH1A1 (0.34) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL4272349 0.81 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL666803 0.78
SCHEMBL1412639 0.76
SCHEMBL24525602 0.75 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL1375028 0.75 ALDH1A1 (0.35) ALDH1A1MAPTTP53PKMMAPK10
SCHEMBL1275069 0.73
SCHEMBL6740218 0.71
SCHEMBL13493092 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605271-B2 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD (JP) 2009-10-20 US disclosed
US-20060223995-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-05 US disclosed
EP-1707265-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-04 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-20060223995-A1 Superhigh purity ionic liquid SLC7A5, SLC7A1, SLC43A1 ALDH1A1 4030/4885MAPT 4184/4885TP53 3300/4885

“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.