SCHEMBL4952149

SCHEMBL4952149

CCCCSCC(NC(=O)C=CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
ICMT O60725 1/20 0.37
THRB P10828 2/20 0.37
MAPT P10636 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOD1 Q9Y239 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
THRA P10827 1/20 0.35
HDAC2 Q92769 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
CES1 P23141 1/20 0.35
CES2 O00748 1/20 0.33

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
SCHEMBL4952143 1.00 ALDH1A1 (0.42) ALDH1A1GAAICMTTHRBMAPT
SCHEMBL4955682 0.91 ALDH1A1 (0.44) ALDH1A1GAAICMTMAPTTAAR1
SCHEMBL4955678 0.91 ALDH1A1 (0.44) ALDH1A1GAAICMTMAPTTAAR1
SCHEMBL4952183 0.87 HDAC2 (0.42) ALDH1A1GAATHRBNOD1ACHE
SCHEMBL4952186 0.87 HDAC2 (0.42) ALDH1A1GAATHRBNOD1ACHE
SCHEMBL4955720 0.85 ICMT (0.35) ALDH1A1ICMTTHRBMAPTGMNN
SCHEMBL4955714 0.85 ICMT (0.35) ALDH1A1ICMTTHRBMAPTGMNN
SCHEMBL4952677 0.84 ALDH1A1 (0.47) ALDH1A1GAAICMTMAPTTAAR1
SCHEMBL4952673 0.84 ALDH1A1 (0.47) ALDH1A1GAAICMTMAPTTAAR1
SCHEMBL10936429 0.80 ALDH1A1 (0.48) ALDH1A1GAANOD1ACHEBACE1

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 ALDH1A1 679/4885GAA 319/4885ICMT 1514/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885GAA 1395/4885ICMT 2231/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885GAA 2335/4885ICMT 1467/4885

“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.