SCHEMBL403029

SCHEMBL403029

COC(=O)c1ccc(OC(=O)CN(C)Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTTP P55157 17/20 0.47
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
APOB P04114 2/20 0.40

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
SCHEMBL403078 0.90 MTTP (0.47) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL401450 0.89 MTTP (0.49) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL5319240 0.88 MTTP (0.46) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL403030 0.87 MTTP (0.45) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL402135 0.85 MTTP (0.51) MTTPAPOB
SCHEMBL402457 0.83 MTTP (0.48) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL401824 0.82 MTTP (0.43) MTTP
SCHEMBL402910 0.82 NTRK1 (0.46) MTTPALDH1A1HPGDKMT2AAPOB
SCHEMBL399538 0.82 MTTP (0.44) MTTP
SCHEMBL402034 0.82 MTTP (0.44) MTTPALDH1A1HPGDKMT2A

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 1/4885ALDH1A1 421/4885HPGD 1174/4885

“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.