SCHEMBL21891798

SCHEMBL21891798

CCCCOC(=O)CCC(NC(=O)Oc1ccccc1)C(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.56
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 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
SCHEMBL18071571 0.85 MGLL (0.55) FAAHMEN1ALDH1A1KMT2AACHE
SCHEMBL21891791 0.85 L3MBTL1 (0.57) FAAHSIRT2SIRT1CYP1A2MEN1
SCHEMBL23129807 0.85 L3MBTL1 (0.57) FAAHSIRT2SIRT1CYP1A2MEN1
SCHEMBL21891750 0.84 SIRT1 (0.43) FAAHSIRT2SIRT1CYP1A2
SCHEMBL21891893 0.84 FAAH (0.44) FAAHSIRT2SIRT1CYP1A2MEN1
SCHEMBL12150054 0.83 FAAH (0.55) FAAHCYP1A2
SCHEMBL21891853 0.82 SIRT1 (0.41) FAAHSIRT2SIRT1CYP1A2HPGD
SCHEMBL21891825 0.81 CYP1A2 (0.46) FAAHSIRT2SIRT1CYP1A2MEN1
SCHEMBL19325105 0.81 BCHE (0.56) SIRT2SIRT1MEN1ALDH1A1HPGD
SCHEMBL18116765 0.81 BCHE (0.56) SIRT2SIRT1MEN1ALDH1A1HPGD

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
US-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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 (2 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 FAAH 847/4885SIRT2 861/4885SIRT1 1448/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 FAAH 847/4885SIRT2 861/4885SIRT1 1448/4885

“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.