SCHEMBL6066567

SCHEMBL6066567

O=C(CCCO)CC(CC(=O)CCCO)C(=O)CCCO

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.40
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 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
SCHEMBL28639602 0.77 CAMK2A (0.46) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL17063554 0.74 THRB (0.40) CAMK2AGPR84FFAR1FFAR4
SCHEMBL2527134 0.73 ALDH1A1 (0.42) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL7723432 0.73 CAMK2A (0.59) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL1399301 0.71 CAMK2A (0.40) CAMK2AGPR84FFAR1FFAR4KDM4E
SCHEMBL9390983 0.71 CES2 (0.50)
SCHEMBL7797219 0.71 CES2 (0.50)
SCHEMBL2993421 0.71 CES2 (0.50)
SCHEMBL932701 0.70 KMT2A (0.55) GPR84FFAR1FFAR4
SCHEMBL29505046 0.70 CAMK2A (0.56) CAMK2AGPR84FFAR1FFAR4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325014-B1 GAMMA-HYDROXYBUTYRATE COMPOSITIONS CONTAINING CARBOHYDRATE CARRIERS JPI COMMERCIAL LLC (US) 2012-05-23 EP disclosed
US-7015200-B2 Carbohydrates conjugated to optionally protected 4-hydroxybutyric acid; enhance the uptake of the drug and allows effective drug delivery to treat GHB-treatable disorders such as sleep disorders or drug withdrawal ORPHAN MEDICAL, INC. (US) 2006-03-21 US disclosed
US-20040092455-A1 Carbohydrates conjugated to optionally protected 4-hydroxybutyric acid; enhance the uptake of the drug and allows effective drug delivery to treat GHB-treatable disorders such as sleep disorders or drug withdrawal U.S. BANK NATIONAL ASSOCIATION 2004-05-13 US disclosed
EP-1325014-A2 GAMMA-HYDROXYBUTYRATE COMPOSITIONS CONTAINING CARBOHYDRATE, LIPID OR AMINO ACID CARRIERS Orphan Medical Inc. (US) 2003-07-09 EP disclosed
WO-2002024715-A2 GAMMA-HYDROXYBUTYRATE COMPOSITIONS CONTAINING CARBOHYDRATE, LIPID OR AMINO ACID CARRIERS ORPHAN MEDICAL, INC. (US) 2002-03-28 WO 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-20040092455-A1 Carbohydrates conjugated to optionally protected 4-hydroxybutyric acid; enhance the uptake of the drug and allows effective drug delivery to treat GHB-treatable disorders such as sleep disorders or drug withdrawal SLC2A4, SLC2A1, SLC2A3 CAMK2A 1471/4885GPR84 439/4885FFAR1 177/4885

“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.