SCHEMBL4954192

SCHEMBL4954192

CCCCCN(C(=O)O)C(CSCCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CES2 O00748 3/20 0.35
▸ CES1 P23141 5/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GPR84 Q9NQS5 3/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ FAAH O00519 4/20 0.32
▸ GRIK1 P39086 2/20 0.32
▸ GRIK2 Q13002 2/20 0.32
▸ SLC1A2 P43004 1/20 0.32
▸ SLC1A1 P43005 1/20 0.32
▸ PLA2G6 O60733 1/20 0.32
▸ LCK P06239 1/20 0.32

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
SCHEMBL4951930 0.94 MAPT (0.35) MAPTGMNNTP53POLBTHRB
SCHEMBL4951655 0.89 GPR84 (0.37) MAPTGMNNTP53POLBTHRB
SCHEMBL4954243 0.86 MAPT (0.38) MAPTGMNNTP53POLBTHRB
SCHEMBL4955303 0.85 EPHX2 (0.35) MAPTEPHX2GPR84FFAR1GRIK1
SCHEMBL4956716 0.80 GPR84 (0.39) MAPTGMNNTP53POLBTHRB
SCHEMBL4953827 0.80 GPR84 (0.35) MAPTGMNNTP53POLBTHRB
SCHEMBL4955836 0.78 RNPEP (0.40) MAPTEPHX2GPR84FFAR1GRIK1
SCHEMBL4955638 0.74 EPHX1 (0.38) MAPTGMNNTP53POLBTHRB
SCHEMBL29067246 0.72 GRIK1 (0.41) MAPTGPR84FFAR1GRIK1GRIK2
SCHEMBL4955739 0.72 MAPT (0.47) MAPTGMNNTP53POLBTHRB

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 5 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
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 — — 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 (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 MAPT 2966/4885GMNN 1654/4885TP53 2697/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 MAPT 4862/4885GMNN 1681/4885TP53 3725/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 MAPT 4525/4885GMNN 1152/4885TP53 4079/4885

“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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