SCHEMBL25037589

SCHEMBL25037589

CCCOc1cc(N)c(C(=O)OC)cc1OCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
ABL1 P00519 1/20 0.45
POLB P06746 2/20 0.44
CFTR P13569 3/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14705178 0.95 KDM4E (0.73) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL29289208 0.92 KDM4E (0.58) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL14418089 0.88 KDM4E (0.71) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL3470108 0.87 KDM4E (0.65) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL25037588 0.87 CYP1A2 (0.51) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL6384036 0.87 KDM4E (0.69) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL26651123 0.86 KDM4E (0.68) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL25039191 0.85 KDM4E (0.58) KDM4EALDH1A1TSHRGLAPOLB
SCHEMBL22056915 0.83 KDM4E (0.73) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL1012527 0.83 KDM4E (0.73) KDM4EALDH1A1MAPTGAAHSD17B10

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 5 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
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 KDM4E 2024/4885ALDH1A1 1873/4885MAPT 2435/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 KDM4E 1437/4885ALDH1A1 1079/4885MAPT 3028/4885

“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.