SCHEMBL26704151

SCHEMBL26704151

CC(C)(C)COCC(=O)N1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 7/20 0.38
POLB P06746 4/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MDH1 P40925 1/20 0.36
MDH2 P40926 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
DRD3 P35462 1/20 0.34
BDKRB1 P46663 1/20 0.34

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
SCHEMBL26704150 0.85 ALDH1A1 (0.44) TSHRL3MBTL1ALDH1A1POLBALOX15
SCHEMBL24348069 0.81 ALDH1A1 (0.50) TSHRL3MBTL1HSD11B1ALDH1A1POLB
SCHEMBL26704160 0.81 L3MBTL1 (0.46) TSHRL3MBTL1ALDH1A1POLBHPGD
SCHEMBL12384362 0.80 TSHR (0.45) TSHRHSD11B1ALDH1A1POLBHPGD
SCHEMBL24260095 0.78 TSHR (0.46) TSHRHSD11B1ALDH1A1POLBSMN1; SMN2
SCHEMBL26705012 0.77 TSHR (0.41) TSHRL3MBTL1HSD11B1ALDH1A1POLB
SCHEMBL18026620 0.77 L3MBTL1 (0.70) TSHRL3MBTL1ALDH1A1POLBHPGD
SCHEMBL26705010 0.77 TPSAB1 (0.45) TSHRL3MBTL1ALDH1A1POLBHPGD
SCHEMBL14012787 0.75 ALDH1A1 (0.46) TSHRHSD11B1ALDH1A1POLBHPGD
SCHEMBL6947154 0.73 TSHR (0.43) TSHRHSD11B1ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 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 (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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 TSHR 4828/4885L3MBTL1 594/4885HSD11B1 1695/4885

“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.