SCHEMBL20328693

SCHEMBL20328693

CC(C)OCCOCCN1CCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.35
PAOX Q6QHF9 1/20 0.34
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL20328697 0.93 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL20322411 0.92 KDM4E (0.39) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL20328705 0.89 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1POLBMEN1
SCHEMBL10192139 0.88 KDM1A (0.39) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL20328691 0.86 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL20328704 0.85 HRH3 (0.39) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL26938890 0.85 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL20328692 0.85 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL2621578 0.84 HRH3 (0.42) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL20332874 0.84 KDM4E (0.44) ALDH1A1KDM4ETDP1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (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-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 (7 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 3312/4885TDP1 3790/4885
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885KDM4E 1725/4885TDP1 1095/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885TDP1 3790/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885TDP1 3790/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885TDP1 3790/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ALDH1A1 641/4885KDM4E 1725/4885TDP1 1095/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 ALDH1A1 2264/4885KDM4E 689/4885TDP1 676/4885

“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.