SCHEMBL13820074

SCHEMBL13820074

CCCOCCOCCOCCC(=O)Nc1ccc(N2C(=O)N=NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NAMPT P43490 2/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 4/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13820380 0.82 CRBN (0.38) TP53NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL11420601 0.75 MAPT (0.61) TP53NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL25680277 0.74 HPGD (0.47) TP53NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL25680280 0.74 TP53 (0.46) TP53NAMPTMAPTALDH1A1LMNA
SCHEMBL26445737 0.70 MAPT (0.47) TP53RAB9ASMN1; SMN2NAMPTMAPT
SCHEMBL5134832 0.70 TP53 (0.60) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL17874890 0.68 HPGD (0.47) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11315413 0.68 L3MBTL1 (0.52) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13892196 0.68 POLB (0.49) TP53NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL13880993 0.68 HDAC1 (0.51) NAMPTMAPTALDH1A1HPGD

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-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 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-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH TP53 1507/4885NPC1 4884/4885RAB9A 2053/4885

“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.