SCHEMBL7513624

SCHEMBL7513624

CCCN(CCC)CCCNCCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
F13A1 P00488 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
THPO P40225 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C9 P11712 2/20 0.52
CA3 P07451 2/20 0.52
CA1 P00915 1/20 0.52
PKM P14618 1/20 0.52
MTOR P42345 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL324827 0.96 ALOX15 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL6707213 0.96 TDP1 (0.57) CA12CA2CA4CA6CA5A
SCHEMBL323341 0.94 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL324690 0.94 CA12 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL323046 0.94 TDP1 (0.59) CA12CA2CA4CA6CA5A
SCHEMBL7513632 0.92 ALOX15 (0.54) CA12CA2CA4CA6CA5A
SCHEMBL5964739 0.90 TSHR (0.52) CA12CA2CA4CA6CA5A
SCHEMBL6248722 0.88 TDP1 (0.57) CA12CA2CA4CA6CA5A
SCHEMBL5360673 0.87 CA12 (0.62) CA12CA2CA4CA6CA5A
SCHEMBL14943785 0.87 TSHR (0.50) CYP1A2ALOX15TSHRTDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US claimed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 US claimed
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 CA12 3973/4885CA2 984/4885CA4 3452/4885

“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.