SCHEMBL6772072

SCHEMBL6772072

COC(=O)c1cccc(OC)c1OC(C)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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
SCHEMBL6766286 0.88 HTT (0.43) ATMKDM4ECNR2KMT2AHSD17B10
SCHEMBL6769866 0.84 KDM4E (0.45) ALDH1A1TSHRKDM4ECNR2KMT2A
SCHEMBL4553620 0.77 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EGAACNR2
SCHEMBL7795902 0.77 IRAK4 (0.51) ALDH1A1TSHRATMKDM4EGAA
Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 0.76 GAA (0.66) ALDH1A1TSHRATMKDM4EGAA
SCHEMBL6768887 0.76 ALDH1A1 (0.48) ALDH1A1TSHRATMKDM4EGAA
SCHEMBL6769221 0.75 ALDH1A1 (0.50) ALDH1A1TSHRATMKDM4EGAA
SCHEMBL7842794 0.75 IRAK4 (0.45) ALDH1A1TSHRATMKDM4EGAA
SCHEMBL6772074 0.74 ALDH1A1 (0.48) ALDH1A1TSHRATMKDM4EGAA
SCHEMBL6771073 0.74 ALDH1A1 (0.45) ALDH1A1TSHRATMKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713489-B2 TREATMENT OF ATHEROSCLEROSIS, OBESITY, DIABETES, HYPERLIPIDEMIA, HYPERLIPOPROTEINEMIA, HYPERCHOLESTEROLEMIA, HYPERTRIGLYCERIDEMIA, HYPOALPHALIPOPROTEINEMIA, PANCREATITIS, MYOCARDIAL INFARCTION, STROKE, RESTENOSIS, OR SYNDROME X PFIZER INC 2004-03-30 US disclosed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US disclosed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US disclosed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP 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-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP ALDH1A1 752/4885TSHR 1883/4885ATM 3402/4885

“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.