SCHEMBL20328705

SCHEMBL20328705

CC(C)OCCCOCCN1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
PAOX Q6QHF9 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
DRD3 P35462 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM1A O60341 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL20328704 0.96 HRH3 (0.39) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL20328697 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL20328693 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL2621578 0.89 HRH3 (0.42) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL20328699 0.87 HRH3 (0.41) KDM4EHRH3SIGMAR1MEN1KMT2A
SCHEMBL12228112 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL20328700 0.86 HRH3 (0.44) KDM4EHRH3SIGMAR1MEN1KMT2A
SCHEMBL29325698 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL22520687 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL20332880 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2HPGDPAOX

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
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 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 (5 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885USP2 2027/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885USP2 2027/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885USP2 2027/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885USP2 2027/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 ALDH1A1 2264/4885KDM4E 689/4885USP2 873/4885

“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.