SCHEMBL4548463

SCHEMBL4548463

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
CYP2C9 P11712 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
FFAR1 O14842 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.43
ALKBH1 Q13686 1/20 0.42
MAPT P10636 2/20 0.41
PLA2G4B P0C869 1/20 0.41
PTGER4 P35408 1/20 0.40

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
SCHEMBL4548470 0.92 NPC1 (0.47) CYP4F2CYP4A11CYP2C9HCAR2NPC1
SCHEMBL4548468 0.88 MAOB (0.45) CYP4F2CYP4A11CYP2C9HCAR2NPC1
SCHEMBL1568004 0.83 LMNA (0.65) NPC1RAB9ASMN1; SMN2FFAR1ALDH1A1
SCHEMBL14217522 0.82 PPARA (0.48) CYP2C9HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL4548432 0.82 HCAR2 (0.49) HCAR2NPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4548464 0.81 HCAR2 (0.66) CYP4F2CYP4A11CYP2C9HCAR2NPC1
SCHEMBL4548476 0.80 LMNA (0.52) NPC1RAB9ASMN1; SMN2FFAR1ALDH1A1
SCHEMBL4548407 0.80 LMNA (0.52) CYP2C9HCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL13225536 0.78 PTPN1 (0.43) HCAR2NPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL4548429 0.77 MAOB (0.46) HCAR2NPC1RAB9ASMN1; SMN2FFAR1

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 CYP4F2 630/4885CYP4A11 244/4885CYP2C9 1081/4885

“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.