SCHEMBL4953161

SCHEMBL4953161

CSCC(OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11430524 0.83 CPB2 (0.40) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL4952696 0.81 TSHR (0.34) TSHRALOX15CHRM2CHRM4CHRM1
SCHEMBL2820915 0.81 RNPEP (0.48) TSHRALOX15RNPEPCHRM2CHRM4
SCHEMBL2820920 0.81 RNPEP (0.48) TSHRALOX15RNPEPCHRM2CHRM4
SCHEMBL9332345 0.81 RNPEP (0.48) TSHRALOX15RNPEPCHRM2CHRM4
SCHEMBL4955317 0.78 RNPEP (0.32) RNPEP
SCHEMBL4955492 0.78 MEN1 (0.33) RNPEP
SCHEMBL4953666 0.78 METAP2 (0.35) TSHRALOX15CHRM1TDP1
SCHEMBL4954299 0.77 RNPEP (0.31) RNPEP
SCHEMBL4953284 0.77 TP53 (0.39) RNPEP

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 7 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
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO 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 TSHR 4149/4885ALOX15 555/4885RNPEP 3086/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 TSHR 1282/4885ALOX15 2152/4885RNPEP 1217/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 TSHR 4028/4885ALOX15 2326/4885RNPEP 2140/4885

“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.