SCHEMBL13181774

SCHEMBL13181774

CCCCCCCC/C(N)=C/C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.46
SOAT1 P35610 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
DGKA P23743 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
GPR84 Q9NQS5 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41

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
SCHEMBL11825170 0.98 NPSR1 (0.46) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL11825165 0.98 NPSR1 (0.46) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL7166250 0.93 NPSR1 (0.47) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1970546 0.93 NPSR1 (0.47) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1970684 0.93 NPSR1 (0.47) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL8201155 0.85 NPSR1 (0.50) FAAHSOAT1MEN1CYP1A2KMT2A
SCHEMBL1061977 0.85 NPSR1 (0.50) FAAHSOAT1MEN1CYP1A2KMT2A
SCHEMBL23115456 0.81 FAAH (0.49) FAAHMEN1KMT2ADGKANPSR1
SCHEMBL16012388 0.81 FAAH (0.49) FAAHMEN1KMT2ADGKANPSR1
SCHEMBL12258159 0.81 FAAH (0.49) FAAHMEN1KMT2ADGKANPSR1

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-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 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-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 FAAH 750/4885SOAT1 3659/4885MEN1 1345/4885

“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.