SCHEMBL2073589

SCHEMBL2073589

CCC(O)CCCCC[C@H](NC(=O)O)C(=N)NO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.38
FFAR1 O14842 3/20 0.37
FFAR4 Q5NUL3 2/20 0.37
FAAH O00519 3/20 0.36
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
NOD1 Q9Y239 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2074129 0.70 GPR84 (0.39) GPR84FFAR1FFAR4FAAHACACB
SCHEMBL14660129 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787116 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787207 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787307 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL23530055 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787291 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL30787428 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL2845646 0.69 GPR84 (0.46) GPR84FFAR1FFAR4ACACBACACA
SCHEMBL10822237 0.67 NOD1 (0.62) GPR84FFAR1NOD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 GPR84 3376/4885FFAR1 3808/4885FFAR4 4089/4885

“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.