SCHEMBL20151957

SCHEMBL20151957

CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOCCN

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA7 P43166 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 7/20 0.33
CA9 Q16790 5/20 0.33
CA14 Q9ULX7 2/20 0.33
CTSK P43235 2/20 0.31

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
SCHEMBL17301885 1.00 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL25143061 1.00 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL17337904 1.00 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL16133570 1.00 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL17926776 1.00 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL5494091 0.93 APLNR (0.40) APLNRTDP1CA1CA2CA7
SCHEMBL18906375 0.91 BLM (0.35) APLNRTDP1CA1CA7MAOA
SCHEMBL18907006 0.91 BLM (0.35) APLNRTDP1CA1CA7MAOA
SCHEMBL12142875 0.89 TDP1 (0.39) APLNRTDP1CA1CA2CA7
Hydrochloric Acid SCHEMBL20450582 0.87 TDP1 (0.38) APLNRTDP1CA1CA2CA7

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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CHO Pharma Inc. (TW) 2018-05-17 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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CSGALNACT1, ST6GAL1, PA2G4 APLNR 3571/4885TDP1 2918/4885CA1 469/4885

“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.