SCHEMBL3336078

SCHEMBL3336078

CCCC(=O)OC[C@H]1O[C@H](OC(=O)CCC)[C@@H](NC(C)=O)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
KMT2A Q03164 1/20 0.54
TLR4 O00206 8/20 0.47
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LY96 Q9Y6Y9 4/20 0.41
TGM2 P21980 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL16883909 1.00 LMNA (0.54) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL3336077 1.00 LMNA (0.54) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2343353 0.93 TLR4 (0.53) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2339239 0.93 TLR4 (0.53) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2338089 0.93 TLR4 (0.53) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2338095 0.93 TLR4 (0.53) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2342978 0.91 LMNA (0.59) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL17784159 0.91 LMNA (0.59) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL17784084 0.90 LMNA (0.67) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2336949 0.90 LMNA (0.67) LMNAKMT2ATLR4POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315532-B2 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-19 US disclosed
US-20100144653-A1 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof THE JOHNS HOPKINS UNIVERSITY (US) 2010-06-10 US disclosed
WO-2006127977-A1 FATTY ACID CARBOHYDRATE HYBRID MOLECULES AS THERAPEUTIC AGENTS AND METHODS THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2006-11-30 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-20100144653-A1 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof FASN, FABP1, FABP2 LMNA 867/4885KMT2A 4230/4885TLR4 583/4885

“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.