SCHEMBL5599531

SCHEMBL5599531

C=CCC(CCCCCC)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
ZDHHC7 Q9NXF8 1/20 0.53
TSHR P16473 1/20 0.47
ABCB1 P08183 1/20 0.46
FAAH O00519 1/20 0.44
BIRC2 Q13490 5/20 0.43
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL27451629 1.00 CA2 (0.56) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL7165372 1.00 CA2 (0.56) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL5879370 0.98 CA2 (0.58) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL29051932 0.93 CA2 (0.65) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL28087826 0.92 CA2 (0.62) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL671483 0.87 TSHR (0.47) CA2CA1ZDHHC7TSHRFAAH
SCHEMBL9673462 0.87 CPB2 (0.47) CA2CA1ZDHHC7TSHRFAAH
SCHEMBL5599769 0.87 CPB2 (0.47) CA2CA1ZDHHC7TSHRFAAH
SCHEMBL11332479 0.86 CA1 (0.48) CA2CA1ZDHHC7TSHRABCB1
SCHEMBL23834150 0.85 CA2 (0.54) CA2CA1ZDHHC7TSHRABCB1

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 CA2 71/4885CA1 372/4885ZDHHC7 243/4885

“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.