Sugi Predict

Sugi Predict / Compounds / SCHEMBL6732466

SCHEMBL6732466

SCHEMBL6732466

CCCC1C(C(=O)OC)=C(COC)NC(COC)=C1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 2/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR1A P08908 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ DRD1 P21728 2/20 0.33

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
SCHEMBL11292115 0.77 TSHR (0.74) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL1663817 0.72 LMNA (0.87) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL7148358 0.67 ALDH1A1 (0.58) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL3028986 0.66 ABCB11 (0.63) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL11256668 0.66 ALDH1A1 (0.57) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL14439343 0.64 ADORA3 (0.45) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL9831538 0.64 LMNA (0.71) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL5359112 0.63 GAA (0.59) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL9139821 0.63 ALDH1A1 (1.00) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL7107070 0.63 LMNA (0.69) ALDH1A1HPGDTSHRHSD17B10LMNA

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-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 — — US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 — — US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 — — US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 — — 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 (2 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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP ALDH1A1 1154/4885HPGD 2470/4885TSHR 3792/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT ALDH1A1 1364/4885HPGD 2389/4885TSHR 3609/4885

“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.