SCHEMBL570465

SCHEMBL570465

O=C(NCCCCCCNCCCCCCNC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.91
CA5A P35218 2/20 0.91
CA5B Q9Y2D0 2/20 0.91
CA14 Q9ULX7 2/20 0.91
CA2 P00918 2/20 0.91
CA12 O43570 1/20 0.91
CA4 P22748 1/20 0.91
CA6 P23280 1/20 0.91
CA7 P43166 1/20 0.91
CA9 Q16790 1/20 0.91
MEN1 O00255 1/20 0.86
KMT2A Q03164 1/20 0.86
ALDH1A1 P00352 4/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
POLB P06746 1/20 0.82
EPHX1 P07099 3/20 0.70
HDAC6 Q9UBN7 1/20 0.48
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL10228415 0.95 CA3 (1.00) CA3CA5ACA5BCA14CA2
SCHEMBL1274081 0.95 CA3 (1.00) CA3CA5ACA5BCA14CA2
SCHEMBL12936102 0.95 CA3 (1.00) CA3CA5ACA5BCA14CA2
SCHEMBL3142216 0.93 CA3 (0.95) CA3CA5ACA5BCA14CA2
SCHEMBL29982917 0.93 MEN1 (1.00) CA3CA5ACA5BCA14CA2
SCHEMBL27889238 0.91 ALDH1A1 (1.00) CA3CA5ACA5BCA14CA2
Trifluoroacetic Acid SCHEMBL1274516 0.90 CA3 (0.88) CA3CA5ACA5BCA14CA2
Trifluoroacetic Acid SCHEMBL1274119 0.90 CA3 (0.88) CA3CA5ACA5BCA14CA2
SCHEMBL19929280 0.89 CA3 (0.72) CA3CA5ACA5BCA14CA2
SCHEMBL18502181 0.88 EPHX1 (0.79) CA3CA5ACA5BCA14CA2

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-8637492-B2 Molecular transporter compositions comprising dendrimeric oligoguanidine with a tri-functional core that facilitates delivery into cells in vivo GENE TOOLS, LLC (US) 2014-01-28 US disclosed
US-8637492-B2 Molecular transporter compositions comprising dendrimeric oligoguanidine with a tri-functional core that facilitates delivery into cells in vivo GENE TOOLS, LLC (US) 2014-01-28 US disclosed
US-20120035358-A1 Molecular transporter compositions comprising dendrimeric oligoguanidine with a tri-functional core that facilitates delivery into cells in vivo GENE TOOLS, LLC 2012-02-09 US disclosed
US-7935816-B2 Molecular transporter compositions comprising dendrimeric oligoguanidine with a triazine core that facilitate delivery into cells in vivo GENE TOOLS, LLC (US) 2011-05-03 US disclosed
US-20090171075-A1 Molecular transporter compositions comprising dendrimeric oligoguanidine with a triazine core that facilitate delivery into cells in vivo GENE TOOLS, LLC 2009-07-02 US disclosed
WO-2009055027-A2 MOLECULAR TRANSPORTER COMPOSITIONS COMPRISING DENDRIMERIC OLIGOGUANIDINE WITH A TRI-FUNCTIONAL CORE THAT FACILITATE DELIVERY INTO CELLS IN VIVO LI YONG-FU (US) 2009-04-30 WO 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 (2 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-20090171075-A1 Molecular transporter compositions comprising dendrimeric oligoguanidine with a triazine core that facilitate delivery into cells in vivo SLC18A1, SLC75A1, SLC2A1 CA3 2859/4885CA5A 798/4885CA5B 1174/4885
US-20120035358-A1 Molecular transporter compositions comprising dendrimeric oligoguanidine with a tri-functional core that facilitates delivery into cells in vivo SLC29A2, SLC29A1, SLC2A9 CA3 2869/4885CA5A 2048/4885CA5B 1782/4885

“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.