SCHEMBL8837503

SCHEMBL8837503

CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP13 P45452 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CTSK P43235 4/20 0.45
CTSS P25774 3/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL7266767 1.00 KDM4E (0.57) KDM4EHPGDGLAGAAMAPT
SCHEMBL23493263 0.92 KDM4E (0.64) KDM4EHPGDGLAGAAMAPT
SCHEMBL30184764 0.92 KDM4E (0.64) KDM4EHPGDGLAGAAMAPT
SCHEMBL23493265 0.92 KDM4E (0.64) KDM4EHPGDGLAGAAMAPT
SCHEMBL8668852 0.87 KDM4E (0.59) KDM4EHPGDGLAGAAMAPT
SCHEMBL3387910 0.87 KDM4E (0.59) KDM4EHPGDGLAGAAMAPT
SCHEMBL6557860 0.85 MAPT (0.58) KDM4EHPGDGLAGAAMAPT
SCHEMBL12890771 0.85 KLK5 (0.51) KDM4EHPGDGLAGAAMAPT
SCHEMBL30471370 0.85 KLK5 (0.51) KDM4EHPGDGLAGAAMAPT
SCHEMBL4320299 0.85 KDM4E (0.67) KDM4EHPGDGLAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 EP disclosed
WO-2024215820-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2024-10-17 WO disclosed
EP-4108648-A1 METHOD FOR PRODUCING AROMATIC ASTATINE COMPOUND National University Corporation Hokkaido University (JP) 2022-12-28 EP disclosed
US-20220356205-A1 METHOD FOR PRODUCING AROMATIC ASTATINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-10 US disclosed
WO-2021149814-A1 CATALYST FOR MANUFACTURING AMIDE COMPOUND, AND METHOD FOR MANUFACTURING AMIDE COMPOUND 学校法人中部大学 2021-07-29 WO disclosed
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 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-20220356205-A1 METHOD FOR PRODUCING AROMATIC ASTATINE COMPOUND AANAT, AADAT, ALK KDM4E 3008/4885HPGD 4318/4885GLA 3880/4885

“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.