SCHEMBL3734748

SCHEMBL3734748

CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(OCc2ccccc2)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.47
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KIFC1 Q9BW19 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
APOB P04114 1/20 0.39

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
SCHEMBL3725163 0.95 MTTP (0.47) MTTPRXFP1
SCHEMBL3725083 0.92 MTTP (0.54) MTTP
SCHEMBL3726000 0.91 MTTP (0.48) MTTPRXRARXRBRXRGKIFC1
SCHEMBL3723744 0.90 MTTP (0.46) MTTPPPARGPPARAPPARDNR1H4
SCHEMBL5062084 0.90 MTTP (0.46) MTTPAPOB
SCHEMBL5064932 0.90 MTTP (0.47) MTTP
SCHEMBL3727646 0.90 MTTP (0.46) MTTPPPARGPPARAPPARDNR1H4
SCHEMBL14031690 0.90 MTTP (0.45) MTTPAPOB
SCHEMBL14031481 0.90 MTTP (0.48) MTTP
SCHEMBL3723515 0.90 MTTP (0.47) MTTPRXFP1

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 19 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-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-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
EP-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 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
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP 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 (4 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 1/4885RXRA 1989/4885RXRB 1944/4885
US-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP MTTP 3/4885RXRA 717/4885RXRB 543/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP MTTP 3/4885RXRA 530/4885RXRB 427/4885
US-20060153913-A1 Solid formulation with improved solubility and stability, and method for producing said formulation ABCG2, SORD, SRI MTTP 1276/4885RXRA 4233/4885RXRB 4444/4885

“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.