SCHEMBL4952186

SCHEMBL4952186

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
NOD1 Q9Y239 3/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
FOLH1 Q04609 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
SCHEMBL4952183 1.00 HDAC2 (0.42) HDAC2ALDH1A1GAANOD1ACHE
SCHEMBL4951949 0.91 ALDH1A1 (0.43) HDAC2ALDH1A1GAANOD1ACHE
SCHEMBL4951953 0.91 ALDH1A1 (0.43) HDAC2ALDH1A1GAANOD1ACHE
SCHEMBL4952143 0.87 ALDH1A1 (0.42) HDAC2ALDH1A1GAANOD1ACHE
SCHEMBL4952149 0.87 ALDH1A1 (0.42) HDAC2ALDH1A1GAANOD1ACHE
SCHEMBL4949460 0.87 ALDH1A1 (0.44) HDAC2ALDH1A1GAATAS1R3TAS1R1
SCHEMBL4949466 0.87 ALDH1A1 (0.44) HDAC2ALDH1A1GAATAS1R3TAS1R1
SCHEMBL4953190 0.85 HDAC2 (0.40) HDAC2ALDH1A1NOD1ACHEBACE1
SCHEMBL4953185 0.85 HDAC2 (0.40) HDAC2ALDH1A1NOD1ACHEBACE1
SCHEMBL10936429 0.85 ALDH1A1 (0.48) HDAC2ALDH1A1GAANOD1ACHE

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 708/4885ALDH1A1 679/4885GAA 319/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 HDAC2 1949/4885ALDH1A1 585/4885GAA 1395/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 HDAC2 2217/4885ALDH1A1 2079/4885GAA 2335/4885

“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.