SCHEMBL4954485

SCHEMBL4954485

CCCCSC(NC(=O)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
NOD1 Q9Y239 1/20 0.34
FAAH O00519 4/20 0.34
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC2 Q92769 1/20 0.33
DEGS1 O15121 1/20 0.33
ASAH1 Q13510 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
SLC6A5 Q9Y345 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
SCHEMBL4949608 0.89 CHRM1 (0.30) HDAC2
SCHEMBL4951668 0.88 CYP2C9 (0.37) EPHX1NOD1FAAHMAPK1MEN1
SCHEMBL4953329 0.86 FAAH (0.41) EPHX1NOD1FAAHMAPK1MEN1
SCHEMBL4952672 0.82 SMN1; SMN2 (0.37) EPHX1FAAHMAPK1CA2SMN1; SMN2
SCHEMBL4952926 0.82 OR51E2 (0.30)
SCHEMBL9785015 0.79 EPHX1 (0.39) EPHX1FAAHMAPK1MEN1KMT2A
SCHEMBL4956135 0.78 EPHX1 (0.38) EPHX1FAAHMAPK1MEN1KMT2A
SCHEMBL4953007 0.78 EPHX1 (0.38) EPHX1FAAHMAPK1MEN1KMT2A
SCHEMBL4953275 0.77 CYP2C9 (0.39) NOD1MEN1KMT2AHDAC2
SCHEMBL4955632 0.76 ALDH1A1 (0.44) EPHX1FAAHSMN1; SMN2ALDH1A1

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 EPHX1 397/4885NOD1 3692/4885FAAH 402/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 EPHX1 3900/4885NOD1 3233/4885FAAH 514/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 EPHX1 4145/4885NOD1 10/4885FAAH 4446/4885

“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.