SCHEMBL22536804

SCHEMBL22536804

COC(=O)OCCNCCNC(=O)Oc1c2ccccc2c(OC(=O)NCCNCCOC(=O)OC)c2oc(C(C)=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 3/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NCEH1 Q6PIU2 1/20 0.32
▸ RECQL P46063 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31

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
SCHEMBL22536820 0.94 NCEH1 (0.35) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL22536840 0.90 NCEH1 (0.32) PDE4APDE4BPDE4CPDE4DHSD17B10
SCHEMBL20816208 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL29880441 0.88 NCEH1 (0.32) PDE4APDE4BPDE4CPDE4DNCEH1
SCHEMBL22536819 0.88 NCEH1 (0.32) PDE4APDE4BPDE4CPDE4DNCEH1
SCHEMBL22536803 0.86 NCEH1 (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18123588 0.85 LTA4H (0.34) PDE4APDE4BPDE4CPDE4DNCEH1
SCHEMBL29880006 0.85 LTA4H (0.34) PDE4APDE4BPDE4CPDE4DNCEH1
SCHEMBL22536802 0.85 NCEH1 (0.35) LMNANCEH1RECQLKDM4EMAPT
Hydrochloric Acid SCHEMBL20816200 0.84 LTA4H (0.33) PDE4APDE4BPDE4CPDE4DNCEH1

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-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 — — 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-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 PDE4A 2306/4885PDE4B 1848/4885PDE4C 2090/4885

“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.

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