SCHEMBL16504273

SCHEMBL16504273

CCCN(CCC)CCNCCN(CC)CCN

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.33
LCK P06239 1/20 0.32
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL24193268 0.89 CYP2C19 (0.52) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL8350386 0.89 CYP2C19 (0.52) CYP2C9CYP2C19TDP1MEN1CA12
SCHEMBL4745524 0.89 CYP2C9 (0.41) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL13863609 0.89 CYP2C19 (0.52) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL18656421 0.88 CYP2C19 (0.47) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL22404850 0.88 CYP2C19 (0.50) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL26259275 0.88 CYP2C19 (0.50) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL12598532 0.88 CYP2C9 (0.40) CYP2C9CYP2C19TDP1LCKMEN1
SCHEMBL10123924 0.87 CYP2C19 (0.54) CYP2C9CYP2C19TDP1MEN1CA12
SCHEMBL18120963 0.86 CYP2C19 (0.43) CYP2C9CYP2C19TDP1LCKMEN1

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-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 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-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT CYP2C9 1173/4885CYP2C19 1032/4885TDP1 1703/4885

“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.