SCHEMBL5404594

SCHEMBL5404594

CCC#CCC(=O)OC(=O)CC#CCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL5411373 0.82
SCHEMBL5405590 0.80 GAA (0.50) ALDH1A1MGAMGAASIMGAM2
SCHEMBL28195469 0.77
SCHEMBL11752232 0.77 LMNA (0.44) ALDH1A1GRIK1GRIK2
SCHEMBL21848016 0.76 FFAR3 (0.33) ALDH1A1FFAR3
SCHEMBL775029 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12670437 0.73 TSHR (0.36) MGAMGAASIMGAM2KDM4E
SCHEMBL3110359 0.72
SCHEMBL13742820 0.72
SCHEMBL3110355 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157599-B2 Method of producing α,β-unsaturated carboxylic acid compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-02 US disclosed
US-20050277786-A1 Method of producing alpha, beta-unsaturated carboxylic acid compounds SUMITOMO CHEMICAL COMPANY, LIMITED 2005-12-15 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-20050277786-A1 Method of producing alpha, beta-unsaturated carboxylic acid compounds ACSL1, ACSL6, ACSL3 ALDH1A1 45/4885TDP1 4706/4885FFAR3 354/4885

“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.