SCHEMBL4953185

SCHEMBL4953185

C=C/C=C/C(=O)NC(CCSCCCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.40
NOD1 Q9Y239 3/20 0.36
TGM2 P21980 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FOLH1 Q04609 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CA2 P00918 1/20 0.31
FPR2 P25090 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4953190 1.00 HDAC2 (0.40) HDAC2NOD1TGM2SLC6A5ACHE
SCHEMBL4955533 0.92 HDAC2 (0.36) HDAC2NOD1TGM2ALDH1A1FOLH1
SCHEMBL4955528 0.92 HDAC2 (0.36) HDAC2NOD1TGM2ALDH1A1FOLH1
SCHEMBL4955714 0.88 ICMT (0.35) HDAC2NOD1ALDH1A1
SCHEMBL4955720 0.88 ICMT (0.35) HDAC2NOD1ALDH1A1
SCHEMBL4954103 0.88 HDAC2 (0.34) HDAC2TGM2ALDH1A1FOLH1LMNA
SCHEMBL4954095 0.88 HDAC2 (0.34) HDAC2TGM2ALDH1A1FOLH1LMNA
SCHEMBL4952183 0.85 HDAC2 (0.42) HDAC2NOD1SLC6A5ACHEBACE1
SCHEMBL4952186 0.85 HDAC2 (0.42) HDAC2NOD1SLC6A5ACHEBACE1
SCHEMBL4955437 0.82 LMNA (0.46) ALDH1A1FOLH1CA2LMNA

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 5 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
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US 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 708/4885NOD1 3692/4885TGM2 1022/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 HDAC2 1949/4885NOD1 3233/4885TGM2 1115/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 HDAC2 2217/4885NOD1 10/4885TGM2 1530/4885

“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.