SCHEMBL6700697

SCHEMBL6700697

CCCN(CCC)CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NR1I3 Q14994 1/20 0.35
NR1D1 P20393 5/20 0.34
NR1H3 Q13133 1/20 0.33
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31
CYP2D6 P10635 1/20 0.31
DNM1 Q05193 1/20 0.31
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16558068 0.93 CA12 (0.39) CA12CA1CA7CA14CA9
SCHEMBL26035583 0.90 CA12 (0.40) CA12CA1CA7CA14CA2
SCHEMBL16558064 0.89 DNM1 (0.39) CA12CA1CA7CA14CTSK
SCHEMBL16558063 0.88 CA12 (0.36) CA12CA1CA7CA14CA2
SCHEMBL19458 0.87 TDP1 (0.42) CA12CA1CA7CA14CA2
SCHEMBL18752992 0.87 CA14 (0.39) CA12CA1CA7CA14NR1I3
SCHEMBL7567930 0.85 CA12 (0.37) CA12CA1CA7CA14CA9
SCHEMBL27420033 0.84 NR1D1 (0.38) CA12CA1CA7CA14CA2
SCHEMBL7567960 0.84 CHRM2 (0.37) CA12CA1CA7CA14NR1D1
SCHEMBL8777347 0.83 CA1 (0.35) CA12CA1CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10994016-B2 Graphene oxide mediated cellular delivery of gadolinium-labeled molecules NORTHWESTERN UNIVERSITY (US) 2021-05-04 US disclosed
US-20170074859-A1 Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20040072785-A1 Intravascular delivery of non-viral nucleic acid WOLFF JON A (US) 2004-04-15 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 (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-10994016-B2 Graphene oxide mediated cellular delivery of gadolinium-labeled molecules GZMB, GCG, GLMN CA12 455/4885CA1 370/4885CA7 1031/4885
US-20170074859-A1 Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules CD44, EPCAM, VIM CA12 2759/4885CA1 4064/4885CA7 4346/4885

“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.