SCHEMBL26596807

SCHEMBL26596807

C=C(C)C(C)(C)OC(=O)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.35
CYP24A1 Q07973 2/20 0.34
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL217823 0.81 GPR119 (0.42) TBXAS1CYP24A1L3MBTL1GPR119
SCHEMBL10359587 0.79 TBXAS1 (0.36) TBXAS1CYP24A1GPR119ALDH1A1LMNA
SCHEMBL6094456 0.77 CYP19A1 (0.38) TBXAS1CYP24A1ADRB2ADRB1ADRB3
SCHEMBL27404668 0.76 HSD17B10 (0.37) TBXAS1CYP24A1ADRB2ADRB1ADRB3
SCHEMBL1199386 0.75 AHR (0.36) TBXAS1CYP24A1GPR119ALDH1A1LMNA
SCHEMBL14158754 0.75 GPR119 (0.35) TBXAS1CYP24A1L3MBTL1GPR119ALDH1A1
SCHEMBL25392514 0.74 CYP24A1 (0.35) TBXAS1CYP24A1GPR119ALDH1A1LMNA
SCHEMBL21982074 0.74 ELANE (0.36) TBXAS1CYP24A1GPR119ALDH1A1LMNA
Iodide SCHEMBL18143129 0.74 GPR119 (0.34) TBXAS1CYP24A1L3MBTL1GPR119ALDH1A1
SCHEMBL29247460 0.74 CYP24A1 (0.35) TBXAS1CYP24A1GPR119ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11799133-B2 Non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery including the same LG ENERGY SOLUTION, LTD. 2023-10-24 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-11799133-B2 Non-aqueous electrolyte solution for lithium secondary battery and lithium secondary battery including the same CACNA1S, PDHB, CACNA1F TBXAS1 4114/4885CYP24A1 1038/4885ADRB2 2225/4885

“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.