SCHEMBL4789340

SCHEMBL4789340

C=NN(C(=O)O)c1cccc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.47
MTNR1B P49286 12/20 0.47
HSD17B2 P37059 3/20 0.46
HSD17B1 P14061 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LMNA P02545 1/20 0.44
PARP1 P09874 1/20 0.42

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
SCHEMBL1576962 0.83 CRHBP (0.38) LMNA
SCHEMBL20264517 0.77 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL4073070 0.76 G6PC1 (0.56)
SCHEMBL1012749 0.76 MTNR1A (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1703740 0.76 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL4293536 0.76 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL27839545 0.76 MTNR1A (0.50) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL17501940 0.73 MTNR1A (0.49) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL26624252 0.71 MTNR1B (0.56) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL1576942 0.71 NPSR1 (0.32)

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
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-7304062-B2 Peroxisome proliferator activated receptor alpha agonists ELI LILLY AND COMPANY (US) 2007-12-04 US disclosed
US-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists CANO IVAN COLLADO (ES) 2004-05-27 US disclosed
EP-1335908-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2003-08-20 EP disclosed
WO-2002038553-A2 TRIAZOLE DERIVATIVES AND THEIR USE AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (1 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-20040102500-A1 Peroxisome proliferator activated receptor alpha agonists PPARG, PPARA, PPARD MTNR1A 400/4885MTNR1B 853/4885HSD17B2 402/4885

“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.