SCHEMBL23918543

SCHEMBL23918543

C=C[C@H](COC)N1CC(C(=O)OCC)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CASP3 P42574 5/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CCR1 P32246 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL23918400 0.83 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL30804820 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL24345588 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23509267 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23918726 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23910320 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23918727 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23910338 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23910322 0.75 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACASP3KDM4E
SCHEMBL23918391 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACASP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-05-03 US disclosed
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-10-14 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 (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-11319324-B2 Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors P2RX3, P2RX1, P2RX5 ALDH1A1 1120/4885MEN1 2887/4885KMT2A 4618/4885
US-20210317128-A1 NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX1, P2RX5 ALDH1A1 1149/4885MEN1 3591/4885KMT2A 4670/4885

“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.