SCHEMBL6771073

SCHEMBL6771073

COC(=O)c1cccc(OC)c1OCC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 2/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.42

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 0.97 ALDH1A1 (0.48) ALDH1A1TSHRPARP15PARP10KMT2A
SCHEMBL6769221 0.96 ALDH1A1 (0.50) ALDH1A1TSHRPARP15PARP10KMT2A
SCHEMBL6766362 0.88 PARP15 (0.46) PARP15PARP10KMT2AHPGDMAPT
SCHEMBL6770847 0.85 PARP15 (0.49) PARP15PARP10KMT2AHPGDFAAH
SCHEMBL6772074 0.85 ALDH1A1 (0.48) ALDH1A1TSHRKMT2APOLBKDM4E
SCHEMBL6777210 0.84 PARP15 (0.51) ALDH1A1PARP15PARP10KMT2AHPGD
SCHEMBL6766264 0.82 CXCR5 (0.52) ALDH1A1TSHRPARP15PARP10KMT2A
SCHEMBL6769973 0.81 CNR1 (0.48) ALDH1A1TSHRPARP15PARP10KMT2A
SCHEMBL27248892 0.80 CXCR5 (0.58) ALDH1A1TSHRPOLBKDM4EGAA
SCHEMBL6769322 0.80 ALDH1A1 (0.64) ALDH1A1TSHRPARP15PARP10KMT2A

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.