SCHEMBL4956707

SCHEMBL4956707

CCSCCC(NCCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.38
GGT1 P19440 2/20 0.36
TSHR P16473 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NOD1 Q9Y239 1/20 0.35
LTA4H P09960 1/20 0.35
GABRR1 P24046 2/20 0.34
CYP1A2 P05177 1/20 0.34
FOLH1 Q04609 3/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34

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
SCHEMBL4953816 0.90 ACE2 (0.38) BLMGGT1ACE2NOD1LTA4H
SCHEMBL4954234 0.88 ACE2 (0.41) BLMGGT1ACE2NOD1LTA4H
SCHEMBL4951649 0.86 BLM (0.39) BLMGGT1ACE2NOD1LTA4H
SCHEMBL4955830 0.84 FOLH1 (0.43) BLMGGT1FOLH1
SCHEMBL30620382 0.83 NOD1 (0.50) BLMTSHRNOD1
SCHEMBL4951925 0.81 ACE2 (0.38) BLMGGT1ACE2NOD1LTA4H
SCHEMBL4954185 0.79 ACE2 (0.41) BLMGGT1ACE2NOD1LTA4H
SCHEMBL28440336 0.79 TSHR (0.39) TSHRFOLH1NAALAD2
SCHEMBL4955299 0.78 FOLH1 (0.42) BLMGGT1ACE2NOD1LTA4H
SCHEMBL6265565 0.76 NOD1 (0.46) BLMGGT1NOD1

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 BLM 3688/4885GGT1 1051/4885TSHR 4149/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 BLM 3318/4885GGT1 4531/4885TSHR 1282/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 BLM 885/4885GGT1 565/4885TSHR 4028/4885

“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.