SCHEMBL20848172

SCHEMBL20848172

O=C(CCCCC(=O)ON1C(=O)CCC1O)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19646499 0.93 HPGD (0.37) SMN1; SMN2HPGDHTTTSHRHSD17B10
SCHEMBL18914838 0.90 HPGD (0.34) SMN1; SMN2HPGDHTTHDAC1HDAC3
SCHEMBL18768989 0.89 KMT2A (0.33) SMN1; SMN2
SCHEMBL18867375 0.88 KMT2A (0.32) SMN1; SMN2
SCHEMBL17168743 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTHDAC1HDAC3
SCHEMBL26382038 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTHDAC1HDAC3
SCHEMBL20999873 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTHDAC1HDAC3
SCHEMBL17767812 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTHDAC1HDAC3
SCHEMBL17767809 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTHDAC1HDAC3
SCHEMBL21117960 0.85 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTHDAC1HDAC3

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-10800827-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-10-13 US disclosed
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-03-28 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 (2 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-10800827-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 SMN1; SMN2 3416/4885HPGD 3295/4885HTT 2068/4885
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 SMN1; SMN2 3416/4885HPGD 3295/4885HTT 2068/4885

“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.