SCHEMBL19684748

SCHEMBL19684748

CCCCOc1cccc2c1C(=O)N(C(=O)OC(C)(C)C)C[C@@H](C)O2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 0.35
DGAT1 O75907 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL19679355 0.85 MAOA (0.42) PRKCAMAPT
SCHEMBL19684749 0.80 ALDH1A1 (0.41) ALDH1A1HPGDPDE4BCNR2
SCHEMBL19684899 0.78 PRKCA (0.38) PRKCACNR2MEN1KMT2A
SCHEMBL19684900 0.71 KCNH2 (0.40) PRKCA
SCHEMBL19684746 0.69 CNR2 (0.34) MAPTTP53PDE4BCNR2
SCHEMBL19667585 0.67 GPR119 (0.42) MEN1KMT2A
SCHEMBL31313107 0.66 ABHD6 (0.36) ALDH1A1
SCHEMBL23735237 0.65 NAMPT (0.41)
SCHEMBL19667612 0.65 NAMPT (0.41)
SCHEMBL19679356 0.65 NAMPT (0.41)

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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP PRKCA 2338/4885MAPT 3784/4885TP53 27/4885

“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.