SCHEMBL23648152

SCHEMBL23648152

CCC=C(C=O)CC(C=O)=CCC

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 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
SCHEMBL23648151 1.00 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1GRIK1GRIK2
SCHEMBL16116150 0.85 ALOX15 (0.37) ALDH1A1MAPK1TDP1GRIK1GRIK2
SCHEMBL9403694 0.85 ALOX15 (0.37) ALDH1A1MAPK1TDP1GRIK1GRIK2
SCHEMBL2163221 0.82
SCHEMBL7044565 0.82
SCHEMBL10900114 0.79 TSHR (0.36) ALDH1A1
SCHEMBL4018404 0.78
SCHEMBL10018115 0.78
SCHEMBL7042762 0.78
SCHEMBL7937721 0.74 LMNA (0.43) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN claimed
US-20230099822-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-03-30 US claimed
EP-3889602-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION Universität Basel (CH) 2021-10-06 EP claimed
WO-2021144475-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2021-07-22 WO claimed
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN disclosed
US-20230099822-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-03-30 US disclosed
EP-3889602-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION Universität Basel (CH) 2021-10-06 EP disclosed
WO-2021144475-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2021-07-22 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 (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-20230099822-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION MRGPRX1, MRGPRX2, CD47 ALDH1A1 3196/4885MAPK1 786/4885TDP1 1834/4885

“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.