SCHEMBL21134608

SCHEMBL21134608

CCC(=O)NC(CC)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.44
CYP2C9 P11712 1/20 0.43
PSMB5 P28074 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
BIRC2 Q13490 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MME P08473 2/20 0.36

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
SCHEMBL11892766 0.84 LMNA (0.53) CYP2C9LMNAPOLBTAS1R3TAS1R1
SCHEMBL16329867 0.80 TAS1R3 (0.44) PLA2G10LMNATAS1R3TAS1R1BIRC2
SCHEMBL5208258 0.78 TAS1R3 (0.40) PLA2G10PSMB5LMNATAS1R3TAS1R1
SCHEMBL13662686 0.77 CYP2C9 (0.46) CYP2C9LMNAPOLBMEN1KMT2A
SCHEMBL17776983 0.77 CYP2C9 (0.46) CYP2C9LMNAPOLBMEN1KMT2A
SCHEMBL24741521 0.77 CYP2C9 (0.46) PLA2G10CYP2C9PSMB5LMNAMEN1
SCHEMBL20054250 0.77 CYP2C9 (0.46) PLA2G10CYP2C9PSMB5LMNAMEN1
SCHEMBL20438368 0.77 PLA2G10 (0.44) PLA2G10PSMB5LMNAMEN1KMT2A
SCHEMBL12583518 0.76 DNM1 (0.48) CYP2C9LMNAPOLBTAS1R3TAS1R1
SCHEMBL12583514 0.76 DNM1 (0.48) CYP2C9LMNAPOLBTAS1R3TAS1R1

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-10342846-B2 Nanoparticle drug delivery systems UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-09 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-10342846-B2 Nanoparticle drug delivery systems EGFR, EPHA6, LPAR6 PLA2G10 1430/4885CYP2C9 1101/4885PSMB5 2879/4885

“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.