SCHEMBL4953117

SCHEMBL4953117

CCCSCCC(NC(C)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GNPAT O15228 1/20 0.41
HDAC2 Q92769 1/20 0.40
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOD1 Q9Y239 1/20 0.38
LMNA P02545 1/20 0.38
FOLH1 Q04609 2/20 0.36
ICMT O60725 1/20 0.36

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
SCHEMBL4953163 0.90 KDM4E (0.46) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL468741 0.87 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL3364340 0.87 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL468743 0.87 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL9752937 0.87 NOD1 (0.48) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL9752939 0.87 NOD1 (0.48) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4956250 0.84 HDAC2 (0.45) ALOX15ALDH1A1HDAC2NOD1LMNA
SCHEMBL14991078 0.84 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4956217 0.84 MAPT (0.50) MAPTALOX15KDM4ETHRBNFKB1
SCHEMBL4954065 0.83 HDAC2 (0.44) ALOX15ALDH1A1HDAC2NOD1LMNA

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 MAPT 2966/4885ALOX15 555/4885KDM4E 1371/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 MAPT 4862/4885ALOX15 2152/4885KDM4E 4155/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 MAPT 4525/4885ALOX15 2326/4885KDM4E 4782/4885

“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.