SCHEMBL6769866

SCHEMBL6769866

COC(=O)c1cccc(C)c1OC(C)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.43
RIPK1 Q13546 1/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.42
DHODH Q02127 1/20 0.42
CXCR5 P32302 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX1 P07099 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 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
SCHEMBL6769240 0.86 KDM4E (0.50) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL6772072 0.84 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1TSHRHPGD
SCHEMBL12313575 0.83 CXCR5 (0.52) KDM4EKMT2AALDH1A1TSHRHPGD
SCHEMBL29050940 0.80 CXCR5 (0.53) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL6766264 0.76 CXCR5 (0.52) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL12569625 0.76 NR4A2 (0.44) KDM4EKMT2AALDH1A1TSHRHPGD
SCHEMBL13328396 0.75 CXCR5 (0.57) KDM4ENPC1RAB9AALDH1A1RIPK1
SCHEMBL699415 0.75 LMNA (0.52) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL6769869 0.74 CXCR2 (0.46) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL28104594 0.73 KDM4E (0.44) KDM4EKMT2AALDH1A1RIPK1TSHR

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 KDM4E 3538/4885NPC1 70/4885RAB9A 1539/4885

“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.