SCHEMBL5599871

SCHEMBL5599871

C=CCC(CCCCCC)C(=O)N(C(=O)Oc1ccccc1)C(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ASAH1 Q13510 1/20 0.36
ACER2 Q5QJU3 1/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FAAH O00519 3/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
NPY5R Q15761 1/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 2/20 0.35
MMP3 P08254 2/20 0.35
MMP1 P03956 1/20 0.35
MMP14 P50281 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5599876 1.00 ZDHHC2 (0.38) ZDHHC2ALDH1A1ASAH1ACER2HDAC8
SCHEMBL5599683 0.89 ASAH1 (0.40) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599686 0.89 ASAH1 (0.40) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599699 0.88 ALDH1A1 (0.39) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599701 0.88 ALDH1A1 (0.39) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599134 0.88 ALDH1A1 (0.37) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599724 0.82 ALDH1A1 (0.38) ALDH1A1FAAHBCHEACHE
SCHEMBL5599660 0.72 MMP2 (0.59) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599307 0.72 MMP2 (0.59) ALDH1A1ASAH1ACER2HDAC8HDAC3
SCHEMBL5599303 0.72 MMP2 (0.59) ALDH1A1ASAH1ACER2HDAC8HDAC3

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-7282605-B2 Optically active 2-allylcarboxylic acid derivative and process for producing the same KANEKA CORPORATION (JP) 2007-10-16 US disclosed
US-20060223152-A1 Optically active 2-allylcarboxylic acid derivative and process for producing the same KANEKA CORPORATION (JP) 2006-10-05 US disclosed
EP-1650187-A1 OPTICALLY ACTIVE 2-ALLYLCARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KANEKA CORPORATION (JP) 2006-04-26 EP 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-20060223152-A1 Optically active 2-allylcarboxylic acid derivative and process for producing the same APEH, NAAA, AADAC ZDHHC2 166/4885ALDH1A1 353/4885ASAH1 7/4885

“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.