SCHEMBL13317954

SCHEMBL13317954

CC(CO)(CO)NC(=O)CCC(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ACLY P53396 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
KMT2A Q03164 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
SCHEMBL16395845 0.82 SMN1; SMN2 (0.41) ALDH1A1ACLYNAALAD2ACACBACACA
SCHEMBL13317953 0.80 HRH3 (0.40) ALDH1A1ACLYNAALAD2ACACBACACA
SCHEMBL12328702 0.80 PIK3CD (0.34) ACLYNAALAD2KMT2A
SCHEMBL1104286 0.78 PHF8 (0.45) ALDH1A1NAALAD2KMT2A
SCHEMBL13355106 0.75 LMNA (0.43) ALDH1A1ACLYNAALAD2ACACBACACA
SCHEMBL10179 0.75 HDAC3 (0.46) ALDH1A1KMT2A
SCHEMBL12328992 0.74 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL12328408 0.74 SLC22A6 (0.44) ALDH1A1NAALAD2
SCHEMBL19085626 0.74 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL11522117 0.74 ALDH1A1 (0.44) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741011-B2 Polymerizable composition and planographic printing plate precursor using the same, alkali-soluble polyurethane resin, and process for producing diol compound FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-7741011-B2 Polymerizable composition and planographic printing plate precursor using the same, alkali-soluble polyurethane resin, and process for producing diol compound FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20090087785-A1 POLYMERIZABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR USING THE SAME, ALKALI-SOLUBLE POLYURETHANE RESIN, AND PROCESS FOR PRODUCING DIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087785-A1 POLYMERIZABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR USING THE SAME, ALKALI-SOLUBLE POLYURETHANE RESIN, AND PROCESS FOR PRODUCING DIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-04-02 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-20090087785-A1 POLYMERIZABLE COMPOSITION AND PLANOGRAPHIC PRINTING PLATE PRECURSOR USING THE SAME, ALKALI-SOLUBLE POLYURETHANE RESIN, AND PROCESS FOR PRODUCING DIOL COMPOUND PAH, RPN1, RER1 ALDH1A1 358/4885ACLY 3982/4885NAALAD2 2437/4885

“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.