SCHEMBL402034

SCHEMBL402034

COc1ccc(COC(=O)c2ccc(OC(=O)CCCc3ccc(NC(=O)c4ccccc4-c4ccc(C(F)(F)F)cc4)c(C(=O)N(C)C)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.40
LPAR1 Q92633 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
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
SCHEMBL403073 0.96 MTTP (0.45) MTTPPPARGPPARDPPARANR1H4
SCHEMBL402231 0.95 MTTP (0.44) MTTPRXFP1LPAR1PPARGPPARD
SCHEMBL401598 0.94 KLRK1 (0.42) MTTPRXFP1ALDH1A1KMT2A
SCHEMBL403565 0.94 MTTP (0.41) MTTPRXFP1PPARGPPARDPPARA
SCHEMBL400628 0.93 MTTP (0.41) MTTPPPARGPPARDPPARANR1H4
SCHEMBL5319240 0.93 MTTP (0.46) MTTPRXFP1ALDH1A1HPGDKMT2A
SCHEMBL401824 0.93 MTTP (0.43) MTTPRXFP1PPARGPPARDPPARA
SCHEMBL399538 0.92 MTTP (0.44) MTTPPPARGPPARDPPARANR1H4
SCHEMBL5316498 0.92 MTTP (0.43) MTTPPPARGPPARDPPARANR1H4
SCHEMBL402680 0.91 MTTP (0.42) MTTPPPARGPPARDPPARANR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP claimed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 US claimed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 US 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-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA MTTP 1/4885RXFP1 3458/4885ABCG2 436/4885

“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.