SCHEMBL3727587

SCHEMBL3727587

CCC(C)OC(=O)C(CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 17/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
APOB P04114 6/20 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
SCHEMBL3730634 0.90 MTTP (0.43) MTTPALDH1A1APOB
SCHEMBL5533535 0.89 MTTP (0.49) MTTPKDM4EALDH1A1LMNAGAA
SCHEMBL3727582 0.87 MTTP (0.48) MTTPKDM4EALDH1A1LMNAGAA
SCHEMBL3737492 0.83 MTTP (0.52) MTTPALDH1A1
SCHEMBL3727750 0.79 MTTP (0.37) MTTPGAAMAPT
SCHEMBL3734759 0.78 MTTP (0.41) MTTPALDH1A1LMNAGAAAPOB
SCHEMBL8612390 0.77 MTTP (0.59) MTTPKDM4EALDH1A1LMNAGAA
SCHEMBL3726876 0.76 SMN1; SMN2 (0.48) MTTPALDH1A1LMNAGAAMAPT
SCHEMBL8609977 0.74 KDM4E (0.59) MTTPKDM4EALDH1A1LMNAGAA
SCHEMBL5065140 0.74 MTTP (0.39) MTTPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US claimed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US claimed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP claimed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-20060153913-A1 Solid formulation with improved solubility and stability, and method for producing said formulation JAPAN TOBACCO INC. (JP) 2006-07-13 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 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 (3 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP MTTP 3/4885KDM4E 2265/4885ALDH1A1 564/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP MTTP 3/4885KDM4E 2442/4885ALDH1A1 603/4885
US-20060153913-A1 Solid formulation with improved solubility and stability, and method for producing said formulation ABCG2, SORD, SRI MTTP 1276/4885KDM4E 3337/4885ALDH1A1 2353/4885

“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.