SCHEMBL19684686

SCHEMBL19684686

CC(C)(C)OC(=O)O[C@@H]1C=C[C@H](OC(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM1A O60341 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPK1 P28482 2/20 0.32
NR1H2 P55055 1/20 0.32
BTK Q06187 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17301546 0.90 CHRM2 (0.35) ELANENFKB1NFKB2RELAKDM1A
SCHEMBL19679206 0.89 KDM1A (0.32) ELANENFKB1NFKB2RELAKDM1A
SCHEMBL17190419 0.84 KDM1A (0.30) KDM1A
SCHEMBL17190374 0.84 CHRM2 (0.38) KDM1ACHRM2CHRM1CHRM3
SCHEMBL17190385 0.84 CHRM2 (0.32) KDM1ACHRM2CHRM1CHRM3
SCHEMBL17301540 0.84 CHRM2 (0.32) KDM1ACHRM2CHRM1CHRM3
SCHEMBL17190396 0.83 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL17190394 0.82 ELANE (0.31) ELANECHRM2CHRM1CHRM3
SCHEMBL17190375 0.82 CHRM2 (0.30) CHRM2CHRM1CHRM3
SCHEMBL17190404 0.82 CHRM2 (0.30) CHRM2CHRM1CHRM3

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 ELANE 1631/4885NFKB1 1092/4885NFKB2 1012/4885

“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.