SCHEMBL6780136

SCHEMBL6780136

CN(c1ccc(Cl)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CHKA P35790 10/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHKB Q9Y259 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6723970 0.87 TAAR1 (0.39) CES1HPGDCHKACYP2A6PTGS2
SCHEMBL13826147 0.87 TAAR1 (0.39) CES1HPGDCHKACYP2A6PTGS2
SCHEMBL6723824 0.87 TAAR1 (0.39) CES1HPGDCHKACYP2A6PTGS2
SCHEMBL6723985 0.87 TAAR1 (0.39) CES1HPGDCHKACYP2A6PTGS2
SCHEMBL6723411 0.87 PTPN1 (0.42) CES1HPGDCHKAGSK3BCYP2A6
SCHEMBL21320353 0.86 GSK3B (0.46) CES1CYP1A2LMNAMAPTHPGD
SCHEMBL27498154 0.85 PTPN1 (0.41) CES1LMNAMAPTHPGDCHKA
SCHEMBL279361 0.84 ALDH1A1 (0.41) CES1CYP1A2MAPTHPGDCHKA
SCHEMBL11920688 0.84 CES1 (0.45) CES1LMNAHPGDTSHRALDH1A1
SCHEMBL6723582 0.83 CHKA (0.41) CES1HPGDCHKAGSK3BPTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 — — US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 — — US 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT CES1 13/4885CYP1A2 251/4885LMNA 4203/4885

“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.

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