SCHEMBL14739092

SCHEMBL14739092

NCCCNCCCCCCCCCCCCCCCCNCCCN

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.93
CA6 P23280 5/20 0.93
CA7 P43166 5/20 0.93
CA9 Q16790 5/20 0.93
CA14 Q9ULX7 5/20 0.93
CA5B Q9Y2D0 5/20 0.93
CA2 P00918 4/20 0.93
CA4 P22748 4/20 0.93
CA5A P35218 4/20 0.93
ALOX15 P16050 3/20 0.93
F13A1 P00488 2/20 0.93
CYP1A2 P05177 2/20 0.93
THPO P40225 2/20 0.93
CASP2 P42575 2/20 0.93
MEN1 O00255 2/20 0.93
RECQL P46063 2/20 0.93
KMT2A Q03164 2/20 0.93
CYP2C19 P33261 1/20 0.93
HSD17B10 Q99714 1/20 0.93
CA3 P07451 3/20 0.87

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
SCHEMBL6030290 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL6031257 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL11584955 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL6029943 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL995526 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL14740131 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL12002491 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL8092274 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL14739695 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL222228 1.00 CA12 (0.93) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562183-B2 Use of compounds with nitrogen-containing functional groups for thermal energy storage ARKEMA FRANCE (FR) 2017-02-07 US disclosed
US-20130056175-A1 USE OF COMPOUNDS WITH NITROGEN-CONTAINING FUNCTIONAL GROUPS FOR THERMAL ENERGY STORAGE ARKEMA FRANCE (FR) 2013-03-07 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-20130056175-A1 USE OF COMPOUNDS WITH NITROGEN-CONTAINING FUNCTIONAL GROUPS FOR THERMAL ENERGY STORAGE S100A4, NUCB2, C9 CA12 901/4885CA6 2895/4885CA7 2889/4885

“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.