SCHEMBL13723744

SCHEMBL13723744

CC(C)C(C)C(=O)OCCOCn1cnc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.57
NT5E P21589 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 1/20 0.54
HBB P68871 1/20 0.54
ADORA2A P29274 4/20 0.52
ADORA1 P30542 4/20 0.52
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
FGFR1 P11362 1/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ABCB11 O95342 1/20 0.48
POLA1 P09884 1/20 0.48
POLG P54098 1/20 0.48
FAP Q12884 1/20 0.48

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
SCHEMBL13724155 0.90 MEN1 (0.65) ENPP1NT5EMEN1KMT2AMAPK1
SCHEMBL13749328 0.89 ENPP1 (0.53) ENPP1NT5EMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL4095590 0.88 MAPK1 (0.64) ENPP1NT5EMEN1KMT2AMAPK1
SCHEMBL9426463 0.86 ENPP1 (0.61) ENPP1NT5EMEN1KMT2AADORA2A
SCHEMBL5065501 0.81 EGFR (0.46) ENPP1NT5EMEN1KMT2AMAPK1
SCHEMBL4089586 0.81 EGFR (0.46) ENPP1NT5EMEN1KMT2AMAPK1
SCHEMBL4094131 0.79 EGFR (0.64) ENPP1NT5EADORA2AADORA1ALDH1A1
SCHEMBL5065503 0.79 EGFR (0.46) ENPP1NT5EMEN1KMT2AMAPK1
SCHEMBL2293269 0.78 ADORA2A (0.66) ENPP1NT5EHBBADORA2AADORA1
SCHEMBL20096689 0.78 ADORA2A (0.66) ENPP1NT5EADORA2AADORA1ALDH1A1

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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases ALT SOLUTIONS, INC. 2009-08-13 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-20090203636-A1 Prevention and Treatment of Cancer and Other Diseases TERT, POLRMT, RNASE1 ENPP1 214/4885NT5E 523/4885MEN1 2768/4885

“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.