SCHEMBL565936

SCHEMBL565936

CCCOC(=O)c1ccc(OCCC)c(OCCC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
SCN1A P35498 2/20 0.59
KCNH2 Q12809 2/20 0.59
SCN2A Q99250 2/20 0.59
SCN3A Q9NY46 2/20 0.59
HRH3 Q9Y5N1 2/20 0.59
CYP3A4 P08684 1/20 0.59
MAOA P21397 1/20 0.59
CYP2C19 P33261 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
SLC6A2 P23975 2/20 0.57
ESR1 P03372 1/20 0.57
CHRM1 P11229 1/20 0.57
KDR P35968 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL12493009 0.87 CYP1A2 (0.56) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL8085911 0.87 NPC1 (0.59) CYP1A2CYP2D6SCN1AKCNH2SCN2A
SCHEMBL27900739 0.87 KDM4E (0.60) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL29171413 0.86 KDM4E (0.68) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL565185 0.86 ESR1 (0.57) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL17854640 0.85 HSD17B2 (0.54) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL13529204 0.85 HSD17B2 (0.54) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL31096065 0.84 HSD17B2 (0.64) POLBKDM4ECYP1A2CYP2D6SCN1A
SCHEMBL29171403 0.84 KDM4E (0.69) POLBKDM4EALDH1A1TSHRSLC6A2
SCHEMBL29171423 0.84 KDM4E (0.64) POLBKDM4EHDAC6

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 10 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
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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 (3 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 POLB 4275/4885KDM4E 1701/4885CYP1A2 4278/4885
US-12605353-B2 PDIA4 inhibitors and use thereof for inhibiting β-cell pathogenesis and treating diabetes PDIA4, PDIA5, PDIA6 POLB 4409/4885KDM4E 2024/4885CYP1A2 2826/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 POLB 4041/4885KDM4E 1437/4885CYP1A2 2032/4885

“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.