SCHEMBL20332899

SCHEMBL20332899

CCC(C)(C)CCOCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL12838847 0.86 SMN1; SMN2 (0.47) TSHRALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL20328750 0.84 TSHR (0.50) TSHRALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL21348351 0.84 HRH3 (0.42) ALDH1A1SMN1; SMN2HRH3KDM4E
SCHEMBL21348335 0.83 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM1HRH3KDM4E
SCHEMBL20332900 0.83 HRH3 (0.43) ALDH1A1SMN1; SMN2HRH3KDM4E
SCHEMBL18410958 0.82 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPK1CYP1A2CHRM2
SCHEMBL20332788 0.81 MEN1 (0.40) ALDH1A1SMN1; SMN2SIGMAR1HRH3KDM4E
SCHEMBL21015952 0.81 TSHR (0.48) TSHRALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL19861321 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPK1CYP1A2CHRM2
SCHEMBL21026238 0.81 CYP2D6 (0.42) TSHRALDH1A1SMN1; SMN2MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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

“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.