SCHEMBL13611743

SCHEMBL13611743

CCCCC(C)/C=C(\C)C(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
CA2 P00918 7/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
MAPK1 P28482 1/20 0.35
CES1 P23141 2/20 0.34
CES2 O00748 1/20 0.33
FAAH O00519 1/20 0.33
SLC15A1 P46059 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL13604732 0.84 CA2 (0.38) CA1ZDHHC7CA2LCKPPARD
SCHEMBL4946239 0.82 CA2 (0.41) CA1ZDHHC7CA2LCKPPARD
SCHEMBL22500748 0.82 CA2 (0.41) CA1ZDHHC7CA2LCKPPARD
SCHEMBL13604834 0.81 CA2 (0.36) CA1ZDHHC7CA2LCKPPARD
SCHEMBL811456 0.79 ALDH1A1 (0.33)
SCHEMBL811457 0.79 ALDH1A1 (0.33)
SCHEMBL13604813 0.78 CA2 (0.38) CA1ZDHHC7CA2MAPK1
SCHEMBL5403193 0.77 LCK (0.46) CA1ZDHHC7LCKPPARDZDHHC20
SCHEMBL10386188 0.76 LCK (0.48) CA1ZDHHC7LCKPPARDZDHHC20
SCHEMBL15791893 0.76 LCK (0.48) CA1ZDHHC7LCKPPARDZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 CA1 4031/4885ZDHHC7 1929/4885CA2 4166/4885

“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.