SCHEMBL6766264

SCHEMBL6766264

COC(=O)c1cccc(C)c1OCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.52
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
KDM4E B2RXH2 3/20 0.42
CNR1 P21554 2/20 0.42
FAAH O00519 1/20 0.42
CNR2 P34972 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
P2RX7 Q99572 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL27248892 0.93 CXCR5 (0.58) CXCR5ALDH1A1TSHRKDM4EHPGD
SCHEMBL6769869 0.87 CXCR2 (0.46) CXCR5ALDH1A1TSHRKDM4EHPGD
SCHEMBL6771711 0.86 KDM4E (0.54) CXCR5ALDH1A1SIRT2PARP15PARP10
SCHEMBL6769973 0.86 CNR1 (0.48) ALDH1A1TSHRSIRT2PARP15PARP10
SCHEMBL6769221 0.86 ALDH1A1 (0.50) ALDH1A1TSHRSIRT2PARP15PARP10
SCHEMBL6768887 0.84 ALDH1A1 (0.48) ALDH1A1TSHRSIRT2PARP15PARP10
SCHEMBL6771073 0.82 ALDH1A1 (0.45) ALDH1A1TSHRPARP15PARP10KDM4E
SCHEMBL29050940 0.80 CXCR5 (0.53) CXCR5ALDH1A1TSHRKDM4ECNR1
SCHEMBL6769322 0.80 ALDH1A1 (0.64) ALDH1A1TSHRSIRT2PARP15PARP10
SCHEMBL27248573 0.79 CXCR5 (0.60) CXCR5ALDH1A1PARP15PARP10KDM4E

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 CXCR5 1760/4885ALDH1A1 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.