SCHEMBL4951925

SCHEMBL4951925

CCCSCC(NCCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.38
BLM P54132 1/20 0.37
ACE P12821 2/20 0.34
NOD1 Q9Y239 1/20 0.34
LTA4H P09960 1/20 0.34
FOLH1 Q04609 3/20 0.33
NAALAD2 Q9Y3Q0 3/20 0.33
GABRR1 P24046 2/20 0.33
CYP1A2 P05177 1/20 0.33
GGT1 P19440 1/20 0.33
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL4954185 0.93 ACE2 (0.41) ACE2BLMACENOD1LTA4H
SCHEMBL4953816 0.88 ACE2 (0.38) ACE2BLMNOD1LTA4HFOLH1
SCHEMBL4951649 0.88 BLM (0.39) ACE2BLMACENOD1LTA4H
SCHEMBL4955299 0.83 FOLH1 (0.42) ACE2BLMNOD1LTA4HFOLH1
SCHEMBL4954234 0.81 ACE2 (0.41) ACE2BLMACENOD1LTA4H
SCHEMBL4956707 0.81 BLM (0.38) ACE2BLMNOD1LTA4HFOLH1
SCHEMBL668856 0.78 GMNN (0.44) BLMNOD1
SCHEMBL668858 0.78 GMNN (0.44) BLMNOD1
SCHEMBL4955830 0.77 FOLH1 (0.43) BLMFOLH1GGT1
SCHEMBL2422168 0.74 MAPT (0.47) BLMNOD1

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 ACE2 1159/4885BLM 3688/4885ACE 837/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ACE2 627/4885BLM 3318/4885ACE 518/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ACE2 2269/4885BLM 885/4885ACE 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.