SCHEMBL16328894

SCHEMBL16328894

CC(C)C(CC(=O)NCCNCCN)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA6 P23280 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA5B Q9Y2D0 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CASP1 P29466 5/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL16151107 0.78 CA5B (0.39) ALDH1A1LMNATDP1TP53CA12
SCHEMBL17011250 0.77 ECE1 (0.39) ECE1ALDH1A1LMNATDP1TP53
SCHEMBL19116288 0.76 ECE1 (0.39) ECE1ALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL14401231 0.73 ECE1 (0.41) ECE1ALDH1A1TP53CASP1SMN1; SMN2
SCHEMBL14003709 0.72 CA5B (0.55) ECE1ALDH1A1LMNATDP1TP53
SCHEMBL12556856 0.72 DPP7 (0.36) ALDH1A1LMNATDP1TP53CA12
SCHEMBL24779309 0.71 CA5B (0.39) ALDH1A1LMNATDP1TP53CA12
SCHEMBL30050875 0.71 OTC (0.41) ALDH1A1LMNATDP1TP53CA12
SCHEMBL12220162 0.71 MEN1 (0.60) ALDH1A1LMNATDP1TP53CA12
SCHEMBL13033260 0.71 MEN1 (0.60) ALDH1A1LMNATDP1TP53CA12

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-8287910-B2 Polymeric micelles for polynucleotide encapsulation INTEZYNE TECHNOLOGIES, INC. (US) 2012-10-16 — — US disclosed
US-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 — — 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-20100278927-A1 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION NCL, POLN, CHMP4B ECE1 4323/4885ALDH1A1 4847/4885LMNA 158/4885

“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.

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