SCHEMBL3726280

SCHEMBL3726280

CCOC(=O)C(CCOC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1OCC)(C(=O)OCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.42
MTTP P55157 12/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.38
APOB P04114 3/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL3727094 0.95 MTTP (0.41) RXFP1MTTPALDH1A1SUCNR1
SCHEMBL3727769 0.93 MTTP (0.40) RXFP1MTTPSUCNR1
SCHEMBL3725290 0.92 MTTP (0.41) RXFP1MTTPALDH1A1L3MBTL1SUCNR1
SCHEMBL3727800 0.91 RXFP1 (0.41) RXFP1MTTPALDH1A1L3MBTL1APOB
SCHEMBL3737626 0.91 MTTP (0.41) RXFP1MTTPALDH1A1L3MBTL1APOB
SCHEMBL3732662 0.89 MTTP (0.39) RXFP1MTTPALDH1A1SUCNR1APOB
SCHEMBL5064934 0.85 MTTP (0.41) RXFP1MTTPALDH1A1SUCNR1APOB
SCHEMBL3730445 0.85 KDM4E (0.46) MTTPAPOB
SCHEMBL3732619 0.85 MTTP (0.42) RXFP1MTTPALDH1A1APOB
SCHEMBL3725176 0.84 PPARG (0.47) RXFP1MTTPALDH1A1L3MBTL1APOB

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 11 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-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-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
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-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 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 (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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP RXFP1 461/4885MTTP 3/4885ALDH1A1 564/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP RXFP1 284/4885MTTP 3/4885ALDH1A1 603/4885

“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.