SCHEMBL4955832

SCHEMBL4955832

CCCCSCCC(NC=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOD1 Q9Y239 2/20 0.36
BHMT Q93088 2/20 0.35
CA2 P00918 1/20 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
SCHEMBL4954200 0.90 KDM4E (0.38) HDAC2ADH1BADH1CADH1AADH4
SCHEMBL4949791 0.85 MAPT (0.37) HDAC2ADH1BADH1CADH1AADH4
SCHEMBL6755160 0.85 KDM4E (0.38) HDAC2KDM4EALDH1A1L3MBTL1BHMT
SCHEMBL4949747 0.85 KDM4E (0.38) HDAC2KDM4EALDH1A1L3MBTL1BHMT
SCHEMBL8628188 0.83 ADH1B (0.46) HDAC2ADH1BADH1CADH1AADH4
SCHEMBL8628191 0.83 ADH1B (0.46) HDAC2ADH1BADH1CADH1AADH4
SCHEMBL20366018 0.80 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28318789 0.80 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6265565 0.79 NOD1 (0.46) HDAC2MAPTGMNNTP53POLB
SCHEMBL4953163 0.79 KDM4E (0.46) HDAC2KDM4EALDH1A1MAPTTHRB

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 HDAC2 708/4885ADH1B 250/4885ADH1C 112/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 HDAC2 1949/4885ADH1B 135/4885ADH1C 90/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 HDAC2 2217/4885ADH1B 3526/4885ADH1C 4063/4885

“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.