SCHEMBL2608938

SCHEMBL2608938

CC(C)COCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KEAP1 Q14145 1/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN2A Q99250 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL2608937 0.93 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL23471085 0.85 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL11128458 0.85 HSD17B10 (0.44) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL31617069 0.84 PAOX (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2KEAP1
SCHEMBL31617085 0.84 PAOX (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2KEAP1
SCHEMBL1603294 0.84 TSHR (0.43) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL21034096 0.83 TSHR (0.46) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL18874679 0.82 KMT2A (0.39) ALDH1A1KDM4ESMN1; SMN2HRH3MEN1
SCHEMBL19709244 0.82 KMT2A (0.42) ALDH1A1KDM4ESMN1; SMN2HRH3MEN1
SCHEMBL26940059 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2

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 10 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
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-5698569-A Retroviral protease inhibitors G. D. SEARLE & CO. (US) 1997-12-16 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 (6 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 3312/4885HPGD 2926/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885HPGD 2926/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885HPGD 2926/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KDM4E 3312/4885HPGD 2926/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ALDH1A1 1996/4885KDM4E 3267/4885HPGD 1588/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 ALDH1A1 2264/4885KDM4E 689/4885HPGD 1425/4885

“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.