SCHEMBL16372737

SCHEMBL16372737

CCCOC(=O)C(CC)CC(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ SLC1A3 P43003 1/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL16362263 0.83 CHRM1 (0.49) SMN1; SMN2MAPK1L3MBTL1LMNACHRNB2
SCHEMBL13867733 0.79 CA1 (0.34) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL11960690 0.78 CA2 (0.50) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL6116669 0.78 CA2 (0.45) CA1CA2HCAR2ALDH1A1SMN1; SMN2
SCHEMBL25576437 0.77 CA1 (0.39) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL14617630 0.77 CA2 (0.48) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL10015480 0.76 CA1 (0.32) CA1CA2
SCHEMBL19498780 0.75 ATM (0.46) CA1CA2HCAR2ALDH1A1SMN1; SMN2
SCHEMBL15247020 0.75 CA2 (0.42) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL12049834 0.75 SLC1A3 (0.57) CA1CA2HDAC1HDAC2SLC1A3

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-20150001160-A1 SEPARATION OF BIOCOMPONENTS FROM DDGS ROA-ESPINOSA AICARDO (US) 2015-01-01 — — 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-20150001160-A1 SEPARATION OF BIOCOMPONENTS FROM DDGS DDOST, DEK, CDC45 CA1 4302/4885CA2 4410/4885HCAR2 4634/4885

“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.

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