SCHEMBL4956255

SCHEMBL4956255

C=C/C=C/C(=O)NC(CSCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ACE P12821 3/20 0.33
ICMT O60725 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL4956257 1.00 ALDH1A1 (0.35) ALDH1A1MAPTSMN1; SMN2ACEICMT
SCHEMBL4954308 0.88 ACE (0.34) ALDH1A1MAPTACEICMT
SCHEMBL4954310 0.88 ACE (0.34) ALDH1A1MAPTACEICMT
SCHEMBL4955714 0.86 ICMT (0.35) ALDH1A1MAPTACEICMT
SCHEMBL4955720 0.86 ICMT (0.35) ALDH1A1MAPTACEICMT
SCHEMBL4951633 0.86 FOLH1 (0.35) ALDH1A1MAPTITGB1ITGA4
SCHEMBL4951639 0.86 FOLH1 (0.35) ALDH1A1MAPTITGB1ITGA4
SCHEMBL4954095 0.85 HDAC2 (0.34) ALDH1A1
SCHEMBL4954103 0.85 HDAC2 (0.34) ALDH1A1
SCHEMBL4952677 0.83 ALDH1A1 (0.47) ALDH1A1MAPTACEICMT

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 679/4885MAPT 2966/4885SMN1; SMN2 3215/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885MAPT 4862/4885SMN1; SMN2 2081/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885MAPT 4525/4885SMN1; SMN2 3000/4885

“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.