SCHEMBL13066033

SCHEMBL13066033

CC(C)OCCOCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KEAP1 Q14145 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL26938985 1.00 TSHR (0.49) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL20328698 0.93 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL20328707 0.90 TSHR (0.43) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL4104702 0.89 MEN1 (0.43) ALDH1A1SMN1; SMN2KDM4EMAPK1CYP1A2
SCHEMBL20328708 0.86 MAPK1 (0.46) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL9917383 0.85 HRH3 (0.51) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL20322411 0.85 KDM4E (0.39) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL21348338 0.85 TSHR (0.46) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL7106263 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL10100370 0.84 ALDH1A1 (0.51) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1

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 8 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-20100298270-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-11-25 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 TSHR 3504/4885ALDH1A1 3264/4885SMN1; SMN2 4652/4885
US-20100298270-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 TSHR 3953/4885ALDH1A1 374/4885SMN1; SMN2 430/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R TSHR 3504/4885ALDH1A1 3264/4885SMN1; SMN2 4652/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R TSHR 3504/4885ALDH1A1 3264/4885SMN1; SMN2 4652/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R TSHR 3504/4885ALDH1A1 3264/4885SMN1; SMN2 4652/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 TSHR 3419/4885ALDH1A1 2264/4885SMN1; SMN2 3388/4885

“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.