SCHEMBL6769322

SCHEMBL6769322

COC(=O)c1ccccc1OCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
TSHR P16473 1/20 0.64
FAAH O00519 1/20 0.59
CNR1 P21554 1/20 0.59
CNR2 P34972 1/20 0.59
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
ATM Q13315 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A3 Q01959 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL22262327 0.86 ALDH1A1 (0.52) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL12748512 0.86 ALDH1A1 (0.52) ALDH1A1TSHRFAAHCNR1CNR2
Hydrochloric Acid SCHEMBL1474973 0.85 ALDH1A1 (0.51) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL27618164 0.84 CHRNB2 (0.58) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL6769221 0.84 ALDH1A1 (0.50) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL1388095 0.84 FAAH (0.60) ALDH1A1FAAHCNR1CNR2KMT2A
SCHEMBL6768887 0.82 ALDH1A1 (0.48) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL29055574 0.82 FAAH (0.57) ALDH1A1TSHRFAAHCNR1CNR2
SCHEMBL27599474 0.81 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL7911253 0.81 PARP10 (0.56) ALDH1A1TSHRKMT2AMEN1HPGD

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 1883/4885FAAH 355/4885

“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.