SCHEMBL5599724

SCHEMBL5599724

C=CCC(CCCCCC)C(=O)N(C(=O)OCC)[C@H](C)c1cccc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 3/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
BMP1 P13497 1/20 0.36
FAAH O00519 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 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
SCHEMBL5599134 0.89 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5599871 0.82 ZDHHC2 (0.38) ALDH1A1FAAHBCHEACHE
SCHEMBL5599876 0.82 ZDHHC2 (0.38) ALDH1A1FAAHBCHEACHE
SCHEMBL5599686 0.81 ASAH1 (0.40) ALDH1A1
SCHEMBL5599683 0.81 ASAH1 (0.40) ALDH1A1
SCHEMBL5599701 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL5599699 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL5598968 0.77 MEN1 (0.45) MAPK1EPHX2
SCHEMBL7521457 0.67 MTNR1A (0.44) L3MBTL1EPHX2MTNR1AMTNR1B
SCHEMBL5599769 0.67 CPB2 (0.47) TSHRFAAH

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 ALDH1A1 353/4885TSHR 4246/4885MAPK1 4700/4885

“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.