SCHEMBL8039848

SCHEMBL8039848

CC(C)COCCN1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
CXCR4 P61073 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.38
LTA4H P09960 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL20333424 0.84 SIGMAR1 (0.40) SIGMAR1CXCR4SMN1; SMN2MEN1KMT2A
SCHEMBL20443304 0.83 MEN1 (0.42) SIGMAR1CXCR4SMN1; SMN2MEN1KMT2A
SCHEMBL19709244 0.82 KMT2A (0.42) SMN1; SMN2MEN1KMT2ALTA4HHRH3
SCHEMBL18874679 0.82 KMT2A (0.39) SMN1; SMN2MEN1KMT2ALTA4HHRH3
SCHEMBL23183570 0.81 SIGMAR1 (0.38) SIGMAR1CXCR4SMN1; SMN2MEN1KMT2A
SCHEMBL23987984 0.81 CXCR4 (0.52) SIGMAR1CXCR4SMN1; SMN2MEN1KMT2A
SCHEMBL18735503 0.80 PSMB1 (0.45) MEN1KMT2AHRH3
SCHEMBL20328741 0.80 ALDH1A1 (0.42) SIGMAR1MEN1KMT2ALTA4HHRH3
SCHEMBL21016198 0.79 CXCR4 (0.41) SIGMAR1CXCR4MEN1KMT2AHRH2
SCHEMBL20231018 0.78 HSD11B1 (0.37) SMN1; SMN2KMT2AHRH1

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 11 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
EP-0527051-B1 Quinophthalone dyes, ink composition and transfer sheet containing them MITSUI CHEMICALS INC (JP) 2000-03-22 EP disclosed
US-5387686-A Sublimable, yellow quinoline derivatives; storage stable; heat light, chemical resistant MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-07 US disclosed
US-5296445-A Quinoline dyes MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-03-22 US disclosed
EP-0527051-A1 Quinophthalone dyes, ink composition and transfer sheet containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-02-10 EP 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 SIGMAR1 4096/4885CXCR4 181/4885SMN1; SMN2 4652/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SIGMAR1 4096/4885CXCR4 181/4885SMN1; SMN2 4652/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SIGMAR1 4096/4885CXCR4 181/4885SMN1; SMN2 4652/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SIGMAR1 4096/4885CXCR4 181/4885SMN1; SMN2 4652/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 SIGMAR1 4229/4885CXCR4 481/4885SMN1; 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.