SCHEMBL13596603

SCHEMBL13596603

CCCCCCCC(=O)C(C)(C)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.59
CES1 P23141 8/20 0.59
CES2 O00748 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A2 P05177 1/20 0.59
PPARG P37231 5/20 0.50
PPARD Q03181 5/20 0.50
PPARA Q07869 5/20 0.50
HDAC11 Q96DB2 4/20 0.50
TSHR P16473 3/20 0.50
GPR84 Q9NQS5 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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
SCHEMBL21666663 1.00 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL22525181 1.00 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL21422317 1.00 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL8898816 1.00 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL21257214 1.00 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
SCHEMBL23386452 1.00 FAAH (0.59) FAAHCES1CES2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27894617 0.98 FAAH (0.57) FAAHCES1CES2MEN1KMT2A
SCHEMBL2607813 0.98 FAAH (0.58) FAAHCES1CES2MEN1KMT2A
SCHEMBL464492 0.91 FAAH (0.48) FAAHCES1CES2MEN1KMT2A
SCHEMBL21497513 0.89 FAAH (0.67) FAAHCES1MEN1KMT2AHSD17B10

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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates Georg-August-Universität Göttingen Stiftung öffentlichen Rechts (ohne Bereich Humanmedizin) (DE) 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-20090318668-A1 Water-Soluble CC-1065 Analogs and Their Conjugates PCNA, DCK, BAD FAAH 3664/4885CES1 1949/4885CES2 767/4885

“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.