SCHEMBL25628397

SCHEMBL25628397

CCCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.63
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
DRD2 P14416 2/20 0.41
ACHE P22303 7/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CA7 P43166 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL14439576 0.97 CA14 (0.60) CA14TDP1MEN1KMT2AGAA
SCHEMBL13004665 0.94 CA14 (0.59) CA14TDP1MEN1KMT2AGAA
SCHEMBL18950461 0.94 CA14 (0.63) CA14TDP1MEN1KMT2AGAA
SCHEMBL8021860 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL8719347 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL13055410 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL8714161 0.92 CA14 (0.68) CA14TDP1MEN1KMT2AGAA
SCHEMBL31040441 0.92 CA14 (0.55) CA14TDP1MEN1KMT2AGAA
SCHEMBL15121181 0.91 CA14 (0.54) CA14TDP1MEN1KMT2AGAA
SCHEMBL18116810 0.90 CA14 (0.59) CA14TDP1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181743-A1 FUNCTIONAL LIPID DERIVATIVES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-15 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 (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-20230181743-A1 FUNCTIONAL LIPID DERIVATIVES AND USES THEREOF LIPA, LIPG, LIPC CA14 2506/4885TDP1 630/4885MEN1 4133/4885

“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.