SCHEMBL25453667

SCHEMBL25453667

CCCCCCCCC(NC(C)C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ GPR84 Q9NQS5 5/20 0.42
▸ CA1 P00915 2/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ ZDHHC7 Q9NXF8 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ ZDHHC20 Q5W0Z9 1/20 0.41
▸ ZDHHC2 Q9UIJ5 1/20 0.41
▸ ADH1B P00325 1/20 0.40
▸ ADH1C P00326 1/20 0.40
▸ ADH1A P07327 1/20 0.40

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
SCHEMBL13337133 0.87 EPHX1 (0.44) FAAHMEN1MAPK1KMT2AACE2
SCHEMBL13337166 0.87 EPHX1 (0.44) FAAHMEN1MAPK1KMT2AACE2
SCHEMBL21389121 0.85 CASP2 (0.53) FAAHMEN1MAPK1KMT2ASIRT6
SCHEMBL17806162 0.85 CA1 (0.42) FAAHMEN1MAPK1KMT2AACE2
SCHEMBL16689672 0.85 CA1 (0.42) FAAHMEN1MAPK1KMT2AACE2
SCHEMBL10206348 0.84 HDAC7 (0.37) FAAHMEN1MAPK1KMT2ACA1
SCHEMBL13233703 0.81 SIRT6 (0.42) CA1SIRT6SIRT1CA2
SCHEMBL19605496 0.81 SIRT6 (0.42) CA1SIRT6SIRT1CA2
SCHEMBL8253003 0.80 GPR84 (0.45) FAAHACE2GPR84FFAR1SIRT6
SCHEMBL13829157 0.80 GPR84 (0.45) FAAHACE2GPR84FFAR1SIRT6

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 — — 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE FAAH 1087/4885MEN1 4309/4885MAPK1 1578/4885

“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.

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