SCHEMBL22202997

SCHEMBL22202997

CC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MTNR1A P48039 5/20 0.34
▸ MTNR1B P49286 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ TLR1 Q15399 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ HIF1A Q16665 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
SCHEMBL13056639 1.00 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL12197747 1.00 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL18532465 1.00 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL13248325 0.99 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL13248341 0.89 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTKMT2AMTNR1A
SCHEMBL19170723 0.89 SMN1; SMN2 (0.34) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL19732577 0.89 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL26199214 0.88 SMN1; SMN2 (0.34) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL22224280 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL23751331 0.87 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTMEN1KMT2A

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-20200216871-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS INVITROGEN CORPORATION 2020-07-09 — — 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-20200216871-A1 LABELING AND DETECTION OF POST TRANSLATIONALLY MODIFIED PROTEINS PTMS, DNPEP, BTD SMN1; SMN2 2464/4885HPGD 3256/4885HTT 2830/4885

“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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