SCHEMBL5064934

SCHEMBL5064934

CCOC(=O)C(COC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1OC(C)=O)(C(=O)OCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.41
SUCNR1 Q9BXA5 1/20 0.38
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APOB P04114 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
SCHEMBL5732546 0.92 MTTP (0.40) MTTPSUCNR1BACE1ALDH1A1HPGD
SCHEMBL14031648 0.89 MTTP (0.43) MTTPSUCNR1ALDH1A1GAARXFP1
SCHEMBL3726280 0.85 RXFP1 (0.42) MTTPSUCNR1ALDH1A1RXFP1APOB
SCHEMBL3727094 0.85 MTTP (0.41) MTTPSUCNR1ALDH1A1HPGDKMT2A
SCHEMBL5062084 0.84 MTTP (0.46) MTTPBACE1ALDH1A1HPGDKMT2A
SCHEMBL14031722 0.83 MTTP (0.45) MTTPALDH1A1HPGDKMT2AGAA
SCHEMBL3727769 0.83 MTTP (0.40) MTTPSUCNR1RXFP1
SCHEMBL3737515 0.82 MTTP (0.39) MTTPGAAAPOB
SCHEMBL3730637 0.82 MTTP (0.46) MTTPALDH1A1HPGDKMT2AGAA
SCHEMBL3725290 0.82 MTTP (0.41) MTTPSUCNR1ALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP claimed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP MTTP 1/4885SUCNR1 504/4885BACE1 2672/4885

“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.