SCHEMBL4953827

SCHEMBL4953827

CCCCCN(C(=O)O)C(CCSCCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ GRIK1 P39086 2/20 0.34
▸ GRIK2 Q13002 2/20 0.34
▸ SLC1A2 P43004 2/20 0.34
▸ SLC1A1 P43005 2/20 0.34
▸ GMNN O75496 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ ZDHHC20 Q5W0Z9 1/20 0.34
▸ ZDHHC2 Q9UIJ5 1/20 0.34
▸ NOD1 Q9Y239 2/20 0.33
▸ BHMT Q93088 2/20 0.33

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
SCHEMBL4954243 0.94 MAPT (0.38) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL4956716 0.91 GPR84 (0.39) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL4955836 0.86 RNPEP (0.40) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL4951930 0.86 MAPT (0.35) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL4954192 0.80 MAPT (0.39) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL4951655 0.78 GPR84 (0.37) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL4955303 0.78 EPHX2 (0.35) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL29067246 0.77 GRIK1 (0.41) GPR84FFAR1MAPTGRIK1GRIK2
SCHEMBL7385078 0.74 RNPEP (0.43) GRIK1GRIK2SLC1A2SLC1A1TP53
SCHEMBL4955443 0.73 EPHX2 (0.35) GPR84FFAR1MAPTGMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 — — US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 — — WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 — — US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 — — US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 — — EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 — — US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 — — WO 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 (3 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 GPR84 1794/4885FFAR1 204/4885MAPT 2966/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 GPR84 893/4885FFAR1 747/4885MAPT 4862/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 GPR84 4587/4885FFAR1 2240/4885MAPT 4525/4885

“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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