SCHEMBL6769869

SCHEMBL6769869

COC(=O)c1cccc(C)c1OCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.46
ALDH1A1 P00352 8/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 5/20 0.42
HPGD P15428 2/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
CXCR5 P32302 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIPK1 Q13546 1/20 0.39

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
SCHEMBL6766264 0.87 CXCR5 (0.52) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6769242 0.87 CXCR2 (0.50) CXCR2ALDH1A1KDM4EHPGDNFE2L2
SCHEMBL6772074 0.85 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL27248892 0.80 CXCR5 (0.58) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL8297698 0.79 MEN1 (0.47) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL29050940 0.78 CXCR5 (0.53) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL25120301 0.76 RAB9A (0.51) ALDH1A1KDM4EHPGDNFE2L2KMT2A
SCHEMBL31055774 0.76 RAB9A (0.51) ALDH1A1KDM4EHPGDNFE2L2KMT2A
SCHEMBL14882899 0.75 CHRM2 (0.44) ALDH1A1TSHRNPC1RAB9ATDP1
SCHEMBL16959103 0.75 TSHR (0.46) ALDH1A1TSHRKDM4EHPGDHSD17B10

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 CXCR2 932/4885ALDH1A1 752/4885TSHR 1883/4885

“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.