SCHEMBL25037592

SCHEMBL25037592

CCCOC(=O)c1cc(OCCC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.52
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
DPP4 P27487 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL25040429 0.95 MEN1 (0.46) KMT2APKMMEN1HTTPOLB
SCHEMBL874176 0.87 POLB (0.52) KMT2APKMMEN1HTTPOLB
SCHEMBL7006941 0.87 HTT (0.54) KMT2APKMMEN1HTTPOLB
SCHEMBL5500527 0.85 HTT (0.53) KMT2APKMMEN1HTTPOLB
SCHEMBL17854642 0.85 MAPT (0.46) KMT2APKMMEN1HTTPOLB
SCHEMBL14418100 0.85 HTT (0.55) KMT2APKMMEN1HTTPOLB
SCHEMBL8263297 0.84 MEN1 (0.55) KMT2APKMMEN1HTTPOLB
SCHEMBL13168044 0.84 PKM (0.50) KMT2APKMMEN1HTTPOLB
SCHEMBL2333730 0.84 HTT (0.59) KMT2APKMMEN1HTTPOLB
SCHEMBL10118722 0.83 PKM (0.49) KMT2APKMMEN1HTTPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes ACADEMIA SINICA (TW) 2026-04-21 US disclosed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 EP disclosed
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN 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 (2 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-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 KMT2A 4291/4885PKM 1342/4885MEN1 4187/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KMT2A 3652/4885PKM 1864/4885MEN1 3302/4885

“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.