SCHEMBL4957014

SCHEMBL4957014

CCCCSCCC(OC(=O)CCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
BHMT Q93088 2/20 0.37
MAPK1 P28482 4/20 0.36
MAPT P10636 3/20 0.36
GMNN O75496 2/20 0.35
TP53 P04637 2/20 0.35
CYP2C9 P11712 2/20 0.35
BLM P54132 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G4B P0C869 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
CES1 P23141 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL4953320 0.90 ALDH1A1 (0.36) LMNABHMTMAPK1MAPTALDH1A1
SCHEMBL4954012 0.89 MAPT (0.36) LMNABHMTMAPK1MAPTGMNN
SCHEMBL4952055 0.88 MAPT (0.35) LMNABHMTMAPK1MAPTGMNN
SCHEMBL4952989 0.87 TSHR (0.39) LMNABHMTMAPK1MAPTALDH1A1
SCHEMBL4954119 0.86 LMNA (0.39) LMNAMAPK1MAPTGMNNTP53
SCHEMBL4956998 0.84 MAPT (0.37) BHMTMAPK1MAPTGMNNTP53
SCHEMBL28380784 0.83 LMNA (0.44) LMNAMAPK1MAPTGMNNTP53
SCHEMBL4952847 0.82 RNPEP (0.43) LMNAMAPK1MAPTALDH1A1
SCHEMBL4954168 0.80 GPR84 (0.35) BHMTMAPK1MAPTGMNNTP53
SCHEMBL4956184 0.80 BHMT (0.34) BHMTMAPK1MAPTGMNNTP53

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 LMNA 1572/4885BHMT 2490/4885MAPK1 4180/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 LMNA 4474/4885BHMT 4314/4885MAPK1 4344/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 LMNA 2272/4885BHMT 4126/4885MAPK1 2354/4885

“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.