SCHEMBL10230233

SCHEMBL10230233

NCCNCCN(CCN)C(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.62
PAX8 Q06710 1/20 0.62
REN P00797 2/20 0.46
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL18760262 0.89 CCR6 (0.53) CCR6PAX8RENHTTSMN1; SMN2
SCHEMBL5557184 0.89 CCR6 (0.58) CCR6PAX8ALDH1A1LMNACA12
SCHEMBL10232646 0.87 CCR6 (0.57) CCR6PAX8ALDH1A1LMNACA12
SCHEMBL8777350 0.86 CCR6 (0.54) CCR6PAX8RENHTTALDH1A1
SCHEMBL23683127 0.85 CCR6 (0.56) CCR6PAX8HTTALDH1A1SMN1; SMN2
SCHEMBL10181395 0.83 CCR6 (0.61) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL19795748 0.83 CCR6 (0.58) CCR6PAX8ALDH1A1LMNACA12
SCHEMBL759516 0.81 CCR6 (0.66) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL9192713 0.81 ALDH1A1 (0.52) CCR6PAX8RENHTTALDH1A1
SCHEMBL7535687 0.80 CCR6 (0.64) CCR6PAX8ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023673-A1 LIPID CONTAINING FORMULATIONS BANK OF AMERICA, N.A. 2009-01-22 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-20090023673-A1 LIPID CONTAINING FORMULATIONS LIPA, POLRMT, PHOSPHO1 CCR6 2172/4885PAX8 3267/4885REN 4568/4885

“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.