SCHEMBL4955682

SCHEMBL4955682

CCCSCC(NC(=O)C=CC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.37
ACE P12821 2/20 0.36
MAPT P10636 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ICMT O60725 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 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
SCHEMBL4955678 1.00 ALDH1A1 (0.44) ALDH1A1GAATAAR1ACEMAPT
SCHEMBL4952143 0.91 ALDH1A1 (0.42) ALDH1A1GAATAAR1MAPTICMT
SCHEMBL4952149 0.91 ALDH1A1 (0.42) ALDH1A1GAATAAR1MAPTICMT
SCHEMBL4952677 0.87 ALDH1A1 (0.47) ALDH1A1GAATAAR1ACEMAPT
SCHEMBL4952673 0.87 ALDH1A1 (0.47) ALDH1A1GAATAAR1ACEMAPT
SCHEMBL4951953 0.86 ALDH1A1 (0.43) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL4951949 0.86 ALDH1A1 (0.43) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL4954310 0.84 ACE (0.34) ALDH1A1ACEMAPTICMTMETAP2
SCHEMBL4954308 0.84 ACE (0.34) ALDH1A1ACEMAPTICMTMETAP2
SCHEMBL4951996 0.82 ALDH1A1 (0.52) ALDH1A1GAATAAR1L3MBTL1

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 319/4885TAAR1 4012/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885GAA 1395/4885TAAR1 1097/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885GAA 2335/4885TAAR1 3995/4885

“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.