SCHEMBL3815930

SCHEMBL3815930

CCCCCCCCCCCCCCCC(=O)OC(=O)CN(C)C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
DGKA P23743 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 3/20 0.41
PAM P19021 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SOAT1 P35610 1/20 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
SCHEMBL3812372 1.00 DNM1 (0.44) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL28344983 1.00 DNM1 (0.44) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL3812373 1.00 DNM1 (0.44) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL3812312 1.00 DNM1 (0.44) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL1884255 1.00 DNM1 (0.44) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL27529876 0.98 DNM1 (0.43) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL3813150 0.98 DNM1 (0.41) DNM1DGKASPHK2SPHK1LMNA
SCHEMBL21404095 0.92 NOS3 (0.38) DNM1ALDH1A1TSHR
SCHEMBL3818372 0.92 FAAH (0.53) LMNAMAPTMEN1FAAHTP53
SCHEMBL21404051 0.92 FAAH (0.53) LMNAMAPTMEN1FAAHTP53

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-7511164-B2 Enhanced bioavailability; reacting creatine, fatty acid and thionyl halide MULTI FORMULATIONS LTD (CA) 2009-03-31 US disclosed
US-20080200723-A1 CREATINE-FATTY ACIDS MULTI FORMULATIONS LTD. (CA) 2008-08-21 US disclosed
US-7314945-B1 Creatine-fatty acids MULTI FORMULATIONS LTD. (CA) 2008-01-01 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-20080200723-A1 CREATINE-FATTY ACIDS FABP2, FABP3, FABP1 DNM1 4580/4885DGKA 471/4885SPHK2 1964/4885

“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.