SCHEMBL19684712

SCHEMBL19684712

CCCCOc1cc(C=O)cc2c1CN(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PIK3CD O00329 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
ESR2 Q92731 1/20 0.33
RIPK1 Q13546 1/20 0.33
NR1H2 P55055 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SCN9A Q15858 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL19684931 0.87 CSF1R (0.39) SMN1; SMN2USP2GPR119ALDH1A1PIK3CD
SCHEMBL19684711 0.86 PIK3CD (0.36) SMN1; SMN2USP2GPR119PIK3CDPRMT5
SCHEMBL19684696 0.86 RIPK1 (0.39) SMN1; SMN2USP2GPR119PIK3CDPRMT5
SCHEMBL19684713 0.85 RIPK1 (0.39) SMN1; SMN2USP2GPR119PIK3CDPRMT5
SCHEMBL19684747 0.85 PDE4D (0.37) SMN1; SMN2USP2GPR119PIK3CDPRMT5
SCHEMBL19667283 0.84 APP (0.42) SMN1; SMN2KMT2AUSP30
SCHEMBL31576025 0.74 ESR2 (0.49) SMN1; SMN2USP2GPR119ALDH1A1ESR2
SCHEMBL3761090 0.72 RIPK1 (0.47) SMN1; SMN2USP2GPR119ESR2RIPK1
SCHEMBL19667616 0.71 TLR9 (0.41) SMN1; SMN2KMT2AUSP30
SCHEMBL19684697 0.70 CCNT1 (0.44) SMN1; SMN2KMT2ARIPK1USP30

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 SMN1; SMN2 1375/4885USP2 3416/4885GPR119 3953/4885

“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.