SCHEMBL6769221

SCHEMBL6769221

COC(=O)c1cccc(OC)c1OCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
HPGD P15428 2/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
FAAH O00519 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL6768887 0.99 ALDH1A1 (0.48) ALDH1A1TSHRPARP15PARP10HPGD
SCHEMBL6771073 0.96 ALDH1A1 (0.45) ALDH1A1TSHRPARP15PARP10HPGD
SCHEMBL6777210 0.88 PARP15 (0.51) ALDH1A1PARP15PARP10HPGDFAAH
SCHEMBL6770847 0.87 PARP15 (0.49) PARP15PARP10HPGDFAAHCNR1
SCHEMBL6772074 0.86 ALDH1A1 (0.48) ALDH1A1TSHRHPGDKDM4EHSD17B10
SCHEMBL6766264 0.86 CXCR5 (0.52) ALDH1A1TSHRPARP15PARP10HPGD
SCHEMBL6769973 0.85 CNR1 (0.48) ALDH1A1TSHRPARP15PARP10HPGD
SCHEMBL6766362 0.84 PARP15 (0.46) PARP15PARP10HPGDMAPTL3MBTL1
SCHEMBL6769322 0.84 ALDH1A1 (0.64) ALDH1A1TSHRPARP15PARP10HPGD
SCHEMBL27248892 0.79 CXCR5 (0.58) ALDH1A1TSHRHPGDKDM4EHSD17B10

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 1883/4885PARP15 2741/4885

“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.