SCHEMBL4652880

SCHEMBL4652880

CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
DUSP3 P51452 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 1/20 0.61
LPAR1 Q92633 6/20 0.54
ENPP2 Q13822 6/20 0.54
LPAR4 Q99677 3/20 0.54
LPAR5 Q9H1C0 3/20 0.54
LPAR2 Q9HBW0 3/20 0.54
LPAR3 Q9UBY5 3/20 0.54
LPAR6 P43657 2/20 0.54
DGKA P23743 1/20 0.53
MAPT P10636 1/20 0.52
P2RY10 O00398 3/20 0.49
GPR174 Q9BXC1 3/20 0.49
GPR34 Q9UPC5 2/20 0.49
TRPV1 Q8NER1 2/20 0.48
CES2 O00748 1/20 0.48

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
SCHEMBL9972495 1.00 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL12114190 1.00 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9972497 1.00 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9972496 1.00 KDM4E (0.61) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL12114170 0.99 KDM4E (0.58) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL9972494 0.93 DGKA (0.66) KDM4EDUSP3MEN1KMT2ALMNA
Glyceryl Monostearate SCHEMBL5969653 0.92 KDM4E (0.74) KDM4EDUSP3MEN1KMT2ALMNA
Glyceryl Monostearate SCHEMBL6652800 0.92 KDM4E (0.74) KDM4EDUSP3MEN1KMT2ALMNA
Glyceryl Monostearate SCHEMBL21808821 0.92 KDM4E (0.74) KDM4EDUSP3MEN1KMT2ALMNA
Glycerol Monolaurate SCHEMBL650317 0.92 KDM4E (0.74) KDM4EDUSP3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140205712-A1 AMINO ACID-BASED NUTRITIONAL FORMULATIONS MEAD JOHNSON NUTRITION CO (US) 2014-07-24 US disclosed
US-8722120-B2 Amino acid-based nutritional formulations MEAD JOHNSON NUTRITION COMPANY (US) 2014-05-13 US disclosed
EP-1608346-B1 ALPHA-HYDROXY ACID ESTER DRUG DELIVERY COMPOSITIONS AND METHODS OF USE ABBOTT LAB (US) 2008-11-12 EP disclosed
US-20080032002-A1 Amino acid-based nutritional formulations BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-07 US disclosed
EP-1608346-A1 ALPHA-HYDROXY ACID ESTER DRUG DELIVERY COMPOSITIONS AND METHODS OF USE Abbott Laboratories (US) 2005-12-28 EP disclosed
WO-2004093851-A1 ALPHA-HYDROXY ACID ESTER DRUG DELIVERY COMPOSITIONS AND METHODS OF USE ABBOTT LABORATORIES (US) 2004-11-04 WO disclosed
US-20040191207-A1 ALPHA-HYDROXY ACID ESTER DRUG DELIVERY COMPOSITIONS AND METHODS OF USE ABBVIE INC. 2004-09-30 US disclosed
US-5211978-A COMPOSITION AND METHOD OF MAKING PROCESSED CHEESE BK LADENBURG GMBH (DE) 1993-05-18 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 (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-20040191207-A1 ALPHA-HYDROXY ACID ESTER DRUG DELIVERY COMPOSITIONS AND METHODS OF USE CYP8B1, LIPA, HCAR1 KDM4E 4238/4885DUSP3 4152/4885MEN1 2284/4885

“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.