SCHEMBL14258504

SCHEMBL14258504

CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCOCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
PLK1 P53350 2/20 0.36
APLNR P35414 1/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA4 P22748 2/20 0.33
CA14 Q9ULX7 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GBA1 P04062 1/20 0.33
GLP1R P43220 5/20 0.32

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
SCHEMBL12143361 0.89 APLNR (0.42) ADORA1APLNRCA1CA2MEN1
SCHEMBL14258502 0.89 PLK1 (0.35) ADORA1PLK1APLNRCA1CA2
SCHEMBL13014750 0.87 APLNR (0.37) ADORA1APLNRCA1CA2MEN1
SCHEMBL2743023 0.87 APLNR (0.37) ADORA1APLNRCA1CA2MEN1
SCHEMBL15757814 0.87 ADORA1 (0.38) ADORA1APLNRCA1CA2MEN1
SCHEMBL23818338 0.87 TDP1 (0.43) ADORA1APLNRCA1CA2MEN1
SCHEMBL29467663 0.87 MEN1 (0.44) ADORA1PLK1CA1CA2MEN1
SCHEMBL14258522 0.84 PLK1 (0.34) ADORA1PLK1APLNRCA1CA2
SCHEMBL17655693 0.84 APLNR (0.38) ADORA1APLNRCA1CA2MEN1
SCHEMBL14679532 0.84 APLNR (0.38) ADORA1APLNRCA1CA2MEN1

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-20080063701-A1 Vector IV VEC LIMITED (GB) 2008-03-13 US disclosed
US-20080063701-A1 Vector IV VEC LIMITED (GB) 2008-03-13 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-20080063701-A1 Vector LPCAT1, HDLBP, AGO2 ADORA1 3943/4885PLK1 1082/4885APLNR 1143/4885

“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.