SCHEMBL21896480

SCHEMBL21896480

CCCNCCN(CCC)CCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
CA12 O43570 5/20 0.36
CA6 P23280 5/20 0.36
CA7 P43166 5/20 0.36
CA9 Q16790 5/20 0.36
CA14 Q9ULX7 5/20 0.36
CA5B Q9Y2D0 5/20 0.36
CA2 P00918 4/20 0.36
CA4 P22748 4/20 0.36
CA5A P35218 4/20 0.36
ALOX15 P16050 3/20 0.36
CASP2 P42575 2/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 2/20 0.36
KMT2A Q03164 2/20 0.36
F13A1 P00488 2/20 0.36
CYP1A2 P05177 2/20 0.36
THPO P40225 2/20 0.36

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
SCHEMBL11521746 0.92 CYP2C19 (0.52) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL7524602 0.90 CYP2C9 (0.45) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL20675950 0.89 ALOX15 (0.43) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL17124821 0.89 CYP2C19 (0.45) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL11209433 0.88 TDP1 (0.54) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL4745524 0.88 CYP2C9 (0.41) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL323203 0.87 CYP2C19 (0.56) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL12556866 0.87 CYP2C19 (0.56) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL16672009 0.86 CYP2C19 (0.47) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL12598532 0.86 CYP2C9 (0.40) CYP2C19CYP2C9TDP1CA12CA6

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-20200123312-A1 POLYAMIDES AND AMIDOAMINES DERIVED FROM HYROXYALKYLPOLYAMINES: EPOXY CURING AGENTS WITH IMPROVED PROPERTIES EVONIK OPERATIONS GMBH (DE) 2020-04-23 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-20200123312-A1 POLYAMIDES AND AMIDOAMINES DERIVED FROM HYROXYALKYLPOLYAMINES: EPOXY CURING AGENTS WITH IMPROVED PROPERTIES PAM, HNMT, NAAA CYP2C19 1472/4885CYP2C9 1741/4885TDP1 744/4885

“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.