SCHEMBL4956971

SCHEMBL4956971

CCCC(=O)OC(CSCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 4/20 0.36
ACE P12821 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4955374 0.88 ALDH1A1 (0.38) ALDH1A1LMNAACEMAPTMAPK1
SCHEMBL4949752 0.85 MEN1 (0.32) TSHR
SCHEMBL4952099 0.85 ALDH1A1 (0.41) ALDH1A1LMNAACETSHRMAPT
SCHEMBL4954119 0.85 LMNA (0.39) ALDH1A1LMNATSHRMAPTMAPK1
SCHEMBL4955432 0.84 TSHR (0.31) TSHR
SCHEMBL4952989 0.83 TSHR (0.39) ALDH1A1LMNAACETSHRMAPT
SCHEMBL4952696 0.79 TSHR (0.34) ALDH1A1LMNATSHRMAPT
SCHEMBL9065289 0.79 ALDH1A1 (0.46) ALDH1A1LMNAACEMAPTMAPK1
SCHEMBL29176812 0.77 ALDH1A1 (0.44) ALDH1A1LMNAACEMAPTMAPK1
SCHEMBL4953320 0.76 ALDH1A1 (0.36) ALDH1A1LMNAACEMAPTMAPK1

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 ALDH1A1 679/4885LMNA 1572/4885ACE 837/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885LMNA 4474/4885ACE 518/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885LMNA 2272/4885ACE 2720/4885

“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.