SCHEMBL4428162

SCHEMBL4428162

CCCCCCCCCC(C)C(=O)OO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
ACE2 Q9BYF1 1/20 0.50
ZDHHC7 Q9NXF8 1/20 0.48
FAAH O00519 1/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR84 Q9NQS5 5/20 0.45
FDPS P14324 3/20 0.45
MAPT P10636 2/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44

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
SCHEMBL4434924 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL5935426 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL28112995 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL8573656 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
Methane SCHEMBL669000 0.98 CA1 (0.53) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL11043736 0.98 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL7804736 0.91 CA1 (0.48) CA1ACE2ZDHHC7FDPSMAPT
Methyl Alcohol SCHEMBL14895152 0.88 FAAH (0.46) FAAHFFAR1FFAR4MAPTPPARD
SCHEMBL8994069 0.85 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL8052116 0.85 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009158633-A1 DRUG CONJUGATES CURATORS OF THE UNIVERSITY OF MISSOURI ON BEHALF OF THE UNIVERSITY OF MISSOURI-KANSAS CITY (US) 2009-12-30 WO disclosed
US-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2005-07-14 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-20050154221-A1 Integrate chemical processes for industrial utilization of seed oils ALOX12, SQLE, ALOX15 CA1 3252/4885ACE2 3087/4885ZDHHC7 596/4885

“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.