SCHEMBL3728924

SCHEMBL3728924

CCOC(=O)C(COC(=O)Cc1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
MTTP P55157 9/20 0.48
APOB P04114 5/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
RXFP1 Q9HBX9 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.43

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
SCHEMBL3725176 0.92 PPARG (0.47) PPARGPPARDPPARANR1H4MTTP
SCHEMBL3731267 0.91 MTTP (0.46) NR1H4MTTPAPOB
SCHEMBL3734694 0.89 MTTP (0.49) PPARGPPARDPPARANR1H4MTTP
SCHEMBL3726100 0.88 MTTP (0.52) NR1H4MTTPAPOBALDH1A1
SCHEMBL3730846 0.88 MTTP (0.46) MTTPAPOB
SCHEMBL3725208 0.88 MTTP (0.48) MTTPAPOB
SCHEMBL3727471 0.88 MTTP (0.46) MTTPAPOBALDH1A1L3MBTL1
SCHEMBL3727646 0.87 MTTP (0.46) PPARGPPARDPPARANR1H4MTTP
SCHEMBL3730637 0.87 MTTP (0.46) MTTPAPOBALDH1A1
SCHEMBL3725179 0.87 MTTP (0.45) MTTPAPOB

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 PPARG 602/4885PPARD 393/4885PPARA 230/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP PPARG 458/4885PPARD 359/4885PPARA 182/4885

“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.