SCHEMBL4955533

SCHEMBL4955533

C=CC=CC(=O)NC(CCSCCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.36
LMNA P02545 1/20 0.32
NOD1 Q9Y239 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
FOLH1 Q04609 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TGM2 P21980 1/20 0.30

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
SCHEMBL4955528 1.00 HDAC2 (0.36) HDAC2LMNANOD1TAS1R3TAS1R1
SCHEMBL4953190 0.92 HDAC2 (0.40) HDAC2LMNANOD1TAS1R3TAS1R1
SCHEMBL4953185 0.92 HDAC2 (0.40) HDAC2LMNANOD1TAS1R3TAS1R1
SCHEMBL4954103 0.90 HDAC2 (0.34) HDAC2LMNAALDH1A1USP2TP53
SCHEMBL4954095 0.90 HDAC2 (0.34) HDAC2LMNAALDH1A1USP2TP53
SCHEMBL4954308 0.87 ACE (0.34) ALDH1A1
SCHEMBL4954310 0.87 ACE (0.34) ALDH1A1
SCHEMBL4955433 0.84 LMNA (0.46) LMNAALDH1A1USP2TP53ALOX15
SCHEMBL4955437 0.84 LMNA (0.46) LMNAALDH1A1USP2TP53ALOX15
SCHEMBL4951949 0.84 ALDH1A1 (0.43) HDAC2LMNANOD1TAS1R3TAS1R1

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 708/4885LMNA 1572/4885NOD1 3692/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 HDAC2 1949/4885LMNA 4474/4885NOD1 3233/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 HDAC2 2217/4885LMNA 2272/4885NOD1 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.