SCHEMBL6775946

SCHEMBL6775946

COC(=O)c1cccc(OC)c1OCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 4/20 0.45
HSP90AA1 P07900 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SCN9A Q15858 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.43
TAS1R3 Q7RTX0 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
SCHEMBL6771358 0.87 HTT (0.54) HTTSMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL2988553 0.83 POLB (0.49) HTTPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4060124 0.83 POLB (0.49) HTTPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL385728 0.82 HTT (0.70) HTTKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6766000 0.81 LMNA (0.52) HTTPOLBKMT2ASMN1; SMN2ALDH1A1
Methyl 2,3-Dimethoxybenzoate SCHEMBL311487 0.78 GAA (0.66) POLBKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6769548 0.78 SMN1; SMN2 (0.47) HTTPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7956411 0.78 KMT2A (0.53) HTTPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9774310 0.78 POLB (0.57) HTTPOLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1050558 0.77 ALDH1A1 (0.49) HTTKMT2ASMN1; SMN2ALDH1A1GAA

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 HTT 3167/4885POLB 1620/4885KMT2A 3250/4885

“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.