SCHEMBL13062022

SCHEMBL13062022

CCCCCCCCc1ccc(C=O)c(N=O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.47
▸ THRA P10827 5/20 0.43
▸ THRB P10828 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KAT8 Q9H7Z6 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ LPL P06858 3/20 0.41
▸ LIPG Q9Y5X9 3/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ PLA2G1B P04054 3/20 0.41
▸ ATG4B Q9Y4P1 3/20 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
SCHEMBL31003471 0.80 CDK1 (0.51) CDK1KAT8PPARALPLLIPG
SCHEMBL11806384 0.80 CDK1 (0.51) CDK1KAT8PPARALPLLIPG
SCHEMBL10803882 0.78 CDK1 (0.63) CDK1KAT8PPARALPLLIPG
SCHEMBL28823310 0.78 CDK1 (0.63) CDK1KAT8PPARALPLLIPG
SCHEMBL29189689 0.78 CDK1 (0.63) CDK1KAT8PPARALPLLIPG
SCHEMBL28970004 0.78 CDK1 (0.63) CDK1KAT8PPARALPLLIPG
SCHEMBL8756317 0.78 CDK1 (0.49) CDK1KAT8PPARALPLLIPG
SCHEMBL12641406 0.78 TAAR1 (0.39) CDK1
SCHEMBL1527136 0.76 CDK1 (0.60) CDK1KAT8PPARALPLLIPG
SCHEMBL18850328 0.76 SKP2 (0.53) KAT8PPARA

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-7858617-B2 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme NORGINE B.V. (NL) 2010-12-28 — — US disclosed
US-20080161301-A1 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme ALIZYME THERAPEUTICS LIMITED (GB) 2008-07-03 — — 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-20080161301-A1 2-hexadecyloxy-6-methyl-4H-3,1-benzoxazin-4-one; inhibition of a lipase, esterase or phosphatase enzyme LPL, LIPE, PNLIP CDK1 2721/4885THRA 1232/4885THRB 1105/4885

“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.

Send feedback