SCHEMBL4955720

SCHEMBL4955720

C=CC=CC(=O)NC(CSCCCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.35
MAPT P10636 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HDAC2 Q92769 1/20 0.33
CES1 P23141 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACE P12821 1/20 0.32
CES2 O00748 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
SCHEMBL4955714 1.00 ICMT (0.35) ICMTMAPTGMNNTP53POLB
SCHEMBL4954310 0.92 ACE (0.34) ICMTMAPTALDH1A1ACE
SCHEMBL4954308 0.92 ACE (0.34) ICMTMAPTALDH1A1ACE
SCHEMBL4953190 0.88 HDAC2 (0.40) NOD1HDAC2ALDH1A1
SCHEMBL4953185 0.88 HDAC2 (0.40) NOD1HDAC2ALDH1A1
SCHEMBL4956257 0.86 ALDH1A1 (0.35) ICMTMAPTALDH1A1ACE
SCHEMBL4956255 0.86 ALDH1A1 (0.35) ICMTMAPTALDH1A1ACE
SCHEMBL4952143 0.85 ALDH1A1 (0.42) ICMTMAPTGMNNTP53POLB
SCHEMBL4952149 0.85 ALDH1A1 (0.42) ICMTMAPTGMNNTP53POLB
SCHEMBL4951633 0.81 FOLH1 (0.35) MAPTALDH1A1

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 ICMT 1514/4885MAPT 2966/4885GMNN 1654/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ICMT 2231/4885MAPT 4862/4885GMNN 1681/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ICMT 1467/4885MAPT 4525/4885GMNN 1152/4885

“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.