SCHEMBL19684987

SCHEMBL19684987

CCCCOc1cc(O)c(F)c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
NR1H2 P55055 1/20 0.39
ADORA1 P30542 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
P2RX3 P56373 1/20 0.38
DPP4 P27487 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MKNK1 Q9BUB5 3/20 0.37
ACACB O00763 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL19684706 0.89 ADORA1 (0.42) ESR2PTGDR2NR1H2ADORA1GPR119
SCHEMBL19684705 0.89 MKNK1 (0.41) ESR2PTGDR2NR1H2ADORA1GPR119
SCHEMBL19684989 0.86 DPP4 (0.39) ESR2PTGDR2NR1H2ADORA1GPR119
SCHEMBL19684988 0.86 PDE4D (0.45) ESR2PTGDR2NR1H2ADORA1GPR119
SCHEMBL19667501 0.83 PTGDR2 (0.46) ESR2PTGDR2P2RX3
SCHEMBL19684982 0.82 PTGDR2 (0.36) ESR2PTGDR2NR1H2ADORA1GPR119
SCHEMBL19679345 0.82 ADORA1 (0.45) ESR2PTGDR2NR1H2ADORA1DPP4
SCHEMBL17462473 0.80 ESR2 (0.49) ESR2NR1H2ADORA1DPP4KDM4E
SCHEMBL19667365 0.78 ESR2 (0.47) ESR2PTGDR2NR1H2ADORA1P2RX3
SCHEMBL30207961 0.78 ESR2 (0.47) ESR2PTGDR2NR1H2ADORA1P2RX3

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 ESR2 2951/4885PTGDR2 4262/4885NR1H2 3021/4885

“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.