SCHEMBL13611574

SCHEMBL13611574

CCCCCCC(C)/C=C(C)/C=C/C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
CA1 P00915 2/20 0.39
FFAR1 O14842 2/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
FAAH O00519 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CA2 P00918 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL13611728 1.00 ACE2 (0.40) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL13604734 0.93 CA2 (0.35) ACE2CA1MAPTCA2
SCHEMBL4509146 0.88 HCAR2 (0.44) ACE2GPR84FFAR1MAPTLCK
SCHEMBL6781652 0.88 HCAR2 (0.44) ACE2GPR84FFAR1MAPTLCK
SCHEMBL26624680 0.88 HCAR2 (0.44) ACE2GPR84FFAR1MAPTLCK
Gymnamide SCHEMBL13001370 0.87 MAPT (0.39) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL26491282 0.81 ACHE (0.45) CA1CA2
SCHEMBL8948019 0.80 ACE2 (0.43) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL8948016 0.80 ACE2 (0.43) ACE2GPR84CA1FFAR1ZDHHC7
SCHEMBL13604827 0.79 CA2 (0.33) CA1MAPTCA2

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 ACE2 488/4885GPR84 621/4885CA1 4031/4885

“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.