SCHEMBL1509841

SCHEMBL1509841

CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TLR2 O60603 2/20 0.43
TLR1 Q15399 2/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
GLP1R P43220 3/20 0.39

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
SCHEMBL3072460 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL29467621 0.94 TLR2 (0.44) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL23080632 0.91 GLP1R (0.45) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL31235864 0.90 MEN1 (0.42) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL29467729 0.89 TLR2 (0.49) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL24588993 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL23080633 0.88 GLP1R (0.42) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL25544093 0.88 GLP1R (0.42) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL28691663 0.88 TLR2 (0.49) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL21055933 0.88 LMNA (0.45) TLR2TLR1BCHEACHESIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859493-B2 Insulin derivatives NOVO NORDISK A/S (DK) 2014-10-14 US disclosed
EP-2292653-B1 Novel insulin derivatives NOVO NORDISK AS (DK) 2014-05-21 EP disclosed
EP-1846447-B1 INSULIN DERIVATIVES NOVO NORDISK AS (DK) 2013-08-21 EP disclosed
US-20120208749-A1 Insulin derivatives NOVO NORDISK A/S (DK) 2012-08-16 US disclosed
EP-2292653-A1 Novel insulin derivatives Novo Nordisk A/S (DK) 2011-03-09 EP disclosed
US-20100227796-A1 Insulin Derivatives NOVO NORDISK A/S (DK) 2010-09-09 US disclosed
US-20080171695-A1 Acylated with polyethylene glycol, polypropylene glycol or polybutylene glycol in combination with a fatty diacid; improved bioavailability, first pass effect, solubility at physiological pH values and prolonged pharmacokinetics NOVO NORDISK A/S (DK) 2008-07-17 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 (3 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-20100227796-A1 Insulin Derivatives IAPP, INSR, GCG KMT2A 4184/4885MEN1 2119/4885ALDH1A1 4360/4885
US-20120208749-A1 Insulin derivatives IAPP, INSR, GCG KMT2A 4370/4885MEN1 1847/4885ALDH1A1 4330/4885
US-20080171695-A1 Acylated with polyethylene glycol, polypropylene glycol or polybutylene glycol in combination with a fatty diacid; improved bioavailability, first pass effect, solubility at physiological pH values and prolonged pharmacokinetics IAPP, FABP4, INSR KMT2A 4091/4885MEN1 2390/4885ALDH1A1 2987/4885

“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.