SCHEMBL30848799

SCHEMBL30848799

C=CCOC(=O)NCCc1cc(=O)oc2c(C=O)c(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 1.00
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 1/20 0.40
MCL1 Q07820 2/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 4/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL16208775 1.00 ERN1 (1.00) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL16197777 0.83 ERN1 (0.70) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL17619213 0.81 ERN1 (0.68) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL30848910 0.80 ERN1 (0.68) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL30848924 0.78 ERN1 (0.66) ERN1KDM4EALDH1A1HPGDMAPT
SCHEMBL26876905 0.76 ERN1 (0.61) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL17615425 0.74 ERN1 (0.66) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL30672589 0.74 ERN1 (0.59) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL17619212 0.74 ERN1 (0.59) ERN1KDM4EALDH1A1HPGDGLA
SCHEMBL16197973 0.74 ERN1 (0.69) ERN1KDM4EALDH1A1HPGDGLA

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-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2024-09-05 US disclosed
US-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-04-02 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 (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-11945789-B2 Inhibitors of the IRE-1/XBP-1 pathway and methods of using thereof XBP1, DDIT3, ERN1 ERN1 3/4885KDM4E 2616/4885ALDH1A1 2871/4885
US-20240294487-A1 INHIBITORS OF THE IRE-1/XBP-1 PATHWAY AND METHODS OF USING THEREOF XBP1, DDIT3, ERN1 ERN1 3/4885KDM4E 2616/4885ALDH1A1 2871/4885

“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.