SCHEMBL411635

SCHEMBL411635

CCOC(=O)CCC(NC(=O)C(N)CCCCN)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
CYP1A2 P05177 1/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP7 Q9UHL4 2/20 0.47
NOD1 Q9Y239 3/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
CPB2 Q96IY4 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DPP4 P27487 1/20 0.42
ERAP2 Q6P179 2/20 0.41
LNPEP Q9UIQ6 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40

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
SCHEMBL13636856 0.90 KMT2A (0.47) KMT2APOLBL3MBTL1CYP1A2DPP8
SCHEMBL7904153 0.89 L3MBTL1 (0.67) KMT2APOLBL3MBTL1CYP1A2DPP8
SCHEMBL411638 0.88 KMT2A (0.57) KMT2APOLBL3MBTL1CYP1A2DPP8
SCHEMBL20738972 0.85 L3MBTL1 (0.61) KMT2APOLBL3MBTL1CYP1A2DPP8
SCHEMBL13049180 0.84 KMT2A (0.65) KMT2APOLBL3MBTL1DPP7NOD1
SCHEMBL444217 0.84 NOD1 (0.53) KMT2ADPP8DPP9DPP7NOD1
SCHEMBL444219 0.84 NOD1 (0.53) KMT2ADPP8DPP9DPP7NOD1
SCHEMBL444218 0.84 NOD1 (0.53) KMT2ADPP8DPP9DPP7NOD1
SCHEMBL411636 0.84 NOD1 (0.53) KMT2ADPP8DPP9DPP7NOD1
SCHEMBL906115 0.84 NOD1 (0.53) KMT2ADPP8DPP9DPP7NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871252-B2 pH-responsive liposome NANOTHETA CO, LTD. (JP) 2014-10-28 US disclosed
US-8338643-B2 Reagent for introduction of protein or gene WASEDA UNIVERSITY (JP) 2012-12-25 US disclosed
US-20120064148-A1 PH-RESPONSIVE LIPOSOME BIONANOSHEETER CO., LTD. (JP) 2012-03-15 US disclosed
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE WASEDA UNIVERSITY (JP) 2010-11-18 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-20120064148-A1 PH-RESPONSIVE LIPOSOME LIPA, SMPD3, SMPD1 KMT2A 2691/4885POLB 4763/4885L3MBTL1 1139/4885
US-20100291672-A1 REAGENT FOR INTRODUCTION OF PROTEIN OR GENE C1S, SGMS1, CERT1 KMT2A 1785/4885POLB 3728/4885L3MBTL1 80/4885

“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.