SCHEMBL4548425

SCHEMBL4548425

COc1ccc(COc2ccc(-c3noc(C(C)CC(=O)O)n3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.49
FFAR1 O14842 9/20 0.47
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
ALKBH1 Q13686 1/20 0.42
TPH1 P17752 1/20 0.41

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
SCHEMBL4548420 0.88 HCAR2 (0.43) HCAR2FFAR1PPARDPPARANPC1
SCHEMBL17253033 0.85 RAB9A (0.53) PPARDPPARANPC1RAB9ASMN1; SMN2
SCHEMBL13933888 0.83 PPARD (0.44) HCAR2FFAR1PPARDPPARANPC1
SCHEMBL13933895 0.83 PPARD (0.42) HCAR2PPARDPPARANPC1RAB9A
SCHEMBL4548428 0.81 HCAR2 (0.66) HCAR2PPARDPPARA
SCHEMBL4548432 0.80 HCAR2 (0.49) HCAR2FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL1568004 0.79 LMNA (0.65) FFAR1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4548463 0.76 CYP4F2 (0.53) HCAR2FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4548429 0.75 MAOB (0.46) HCAR2FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4548476 0.74 LMNA (0.52) FFAR1NPC1RAB9ASMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885FFAR1 4/4885PPARD 67/4885

“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.