SCHEMBL21034096

SCHEMBL21034096

CC(C)CCOCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR2A P28223 1/20 0.42
SCN1A P35498 1/20 0.42
HTR2B P41595 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KEAP1 Q14145 1/20 0.42
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL111438 0.84 TSHR (0.58) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL2608938 0.83 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL19119338 0.83 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1CYP1A2
SCHEMBL26939510 0.82 HTT (0.43) ALDH1A1SMN1; SMN2KDM4EHRH3MEN1
SCHEMBL7106263 0.82 TSHR (0.61) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL24060966 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHRH3USP2MEN1
SCHEMBL105227 0.80 KEAP1 (0.54) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL13066033 0.80 TSHR (0.49) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL26938985 0.80 TSHR (0.49) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL104455 0.80 KDM4E (0.47) TSHRALDH1A1SMN1; SMN2KDM4EKEAP1

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 5 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
EP-4194457-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co., Ltd. (CN) 2023-06-14 EP disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
WO-2021127278-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2019102144-A1 POLYURETHANE WITH (5-ALKYL -1,3-DIOXOLEN-2-ONE-4-YL) END GROUPS BOSTIK SA (FR) 2019-05-31 WO 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 (1 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-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.