SCHEMBL6766288

SCHEMBL6766288

COc1cccc(C(=O)O)c1OCCC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.48
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CXCR2 P25025 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6772074 0.89 ALDH1A1 (0.48) SCN9AGAAALDH1A1MEN1KMT2A
SCHEMBL6770847 0.87 PARP15 (0.49) SCN9AMEN1KMT2AHPGDHTT
SCHEMBL6777210 0.86 PARP15 (0.51) SCN9AALDH1A1MEN1KMT2AHPGD
SCHEMBL6766362 0.84 PARP15 (0.46) SCN9AMEN1KMT2AHPGDLMNA
SCHEMBL9774386 0.83 ALDH1A1 (0.56) SCN9AGAAALDH1A1KMT2AKDM4E
SCHEMBL6769242 0.83 CXCR2 (0.50) GAAALDH1A1CXCR2KDM4ESMN1; SMN2
SCHEMBL28919413 0.81 SMN1; SMN2 (0.58) SCN9AGAAALDH1A1MEN1KMT2A
SCHEMBL13607844 0.79 HTT (0.53) SCN9AGAAALDH1A1KMT2AKDM4E
SCHEMBL12697378 0.78 CNR2 (0.55) SCN9AGAAALDH1A1MEN1KMT2A
SCHEMBL6043205 0.78 SMN1; SMN2 (0.59) SCN9AGAAALDH1A1KMT2ASMN1; SMN2

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 SCN9A 3023/4885GAA 506/4885ALDH1A1 752/4885

“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.