SCHEMBL4952014

SCHEMBL4952014

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.41
MME P08473 3/20 0.40
NOD1 Q9Y239 3/20 0.40
ACE P12821 3/20 0.39
FOLH1 Q04609 1/20 0.38
PLA2G2A P14555 2/20 0.35
PLA2G5 P39877 2/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL4952818 0.91 MME (0.38) HDAC2MMENOD1ACEFOLH1
SCHEMBL4955878 0.88 HDAC2 (0.44) HDAC2MMENOD1ACEFOLH1
SCHEMBL4956751 0.86 ACE (0.42) NOD1ACE
SCHEMBL4954836 0.86 METAP2 (0.40) MMEACEFOLH1
SCHEMBL5328827 0.84 HDAC2 (0.40) HDAC2MMENOD1ACEFOLH1
SCHEMBL4953163 0.83 KDM4E (0.46) HDAC2NOD1FOLH1
SCHEMBL4953409 0.81 HDAC2 (0.49) HDAC2NOD1
SCHEMBL4953360 0.80 HDAC2 (0.48) HDAC2NOD1
SCHEMBL4955334 0.80 NOD1 (0.55) HDAC2NOD1
SCHEMBL4953101 0.79 LMNA (0.51) FOLH1

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 708/4885MME 423/4885NOD1 3692/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 HDAC2 1949/4885MME 4146/4885NOD1 3233/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 HDAC2 2217/4885MME 2916/4885NOD1 10/4885

“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.