SCHEMBL5606099

SCHEMBL5606099

COC(=O)C(CC=O)C(CC=O)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 5/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.32
TSHR P16473 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CA12 O43570 1/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL187910 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL490446 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL661763 0.91 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL11302194 0.80 TSHR (0.35) SMN1; SMN2KMT2ATSHRMEN1ALDH1A1
SCHEMBL25741000 0.80 KMT2A (0.32) SMN1; SMN2KMT2A
SCHEMBL5124368 0.80 CA1 (0.43) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL4420430 0.80 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACA1CA2CA14
SCHEMBL4867613 0.78
SCHEMBL50447 0.78
SCHEMBL30415488 0.78 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACA1CA2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169950-B2 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-01-30 US disclosed
US-20040073041-A1 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2004-04-15 US disclosed
US-4769464-A Process for the preparation of monocarbonyl or biscarbonyl compounds CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1988-09-06 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-20040073041-A1 Method for producing monocarbonyl compounds or biscarbonyl compounds or hydroxyl compounds OXER1, FHIT, HAO2 SMN1; SMN2 4471/4885KMT2A 1517/4885CA1 669/4885

“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.