SCHEMBL861203

SCHEMBL861203

CC(C)(C)NCCCNCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA6 P23280 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CA5B Q9Y2D0 5/20 0.55
CA2 P00918 4/20 0.55
CA4 P22748 4/20 0.55
CA5A P35218 4/20 0.55
CYP1A2 P05177 3/20 0.55
ALOX15 P16050 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2C19 P33261 3/20 0.55
CASP2 P42575 2/20 0.55
F13A1 P00488 2/20 0.55
THPO P40225 2/20 0.55
RECQL P46063 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CA3 P07451 3/20 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
SCHEMBL756934 0.98 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL861102 0.98 CASP2 (0.59) CA12CA6CA7CA9CA14
SCHEMBL10110872 0.95 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL10110868 0.93 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL21214219 0.93 CA12 (0.60) CA12CA6CA7CA9CA14
SCHEMBL18827192 0.91 CASP2 (0.62) CA12CA6CA7CA9CA14
SCHEMBL989774 0.90
SCHEMBL861217 0.86 CA12 (0.57) CA12CA6CA7CA9CA14
SCHEMBL19493346 0.85 CYP2C19 (0.55) CA12CA6CA7CA9CA14
SCHEMBL25566473 0.85 CYP2C19 (0.55) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672818-B2 Nitric oxide-releasing cyclodextrins as biodegradable antibacterial scaffolds and methods pertaining thereto THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-06-13 US disclosed
US-20210346424-A1 NITRIC OXIDE-RELEASING CYCLODEXTRINS AS BIODEGRADABLE ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-11-11 US disclosed
US-8143413-B2 Polycationized phospholipid derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-27 US disclosed
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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 (3 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-11672818-B2 Nitric oxide-releasing cyclodextrins as biodegradable antibacterial scaffolds and methods pertaining thereto NOS1, NOS2, NOS3 CA12 3440/4885CA6 1791/4885CA7 1562/4885
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES PHOSPHO1, PLTP, PTDSS2 CA12 3209/4885CA6 2865/4885CA7 3427/4885
US-20210346424-A1 NITRIC OXIDE-RELEASING CYCLODEXTRINS AS BIODEGRADABLE ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO NOS1, NOS2, NOS3 CA12 3440/4885CA6 1791/4885CA7 1562/4885

“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.