SCHEMBL5061983

SCHEMBL5061983

CCC(C)OC(=O)C(COC(=O)Oc1ccc(NC(=O)c2cccnc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.35
F10 P00742 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTTP P55157 3/20 0.32
RXFP1 Q9HBX9 3/20 0.32

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
SCHEMBL5065208 0.91 CASR (0.31) F10MTTPRXFP1
SCHEMBL5065150 0.90 MTTP (0.41) MTTP
SCHEMBL5066068 0.89 CASR (0.40) F10MTTPRXFP1
SCHEMBL5065189 0.89 CASR (0.36) F10MTTPRXFP1
SCHEMBL5061956 0.89 F10 (0.36) TRPV1F10KDM4EMEN1CYP1A2
SCHEMBL5061900 0.88 MTTP (0.38) MTTP
SCHEMBL5062419 0.87 MTTP (0.36) MTTP
SCHEMBL5068141 0.83 MTTP (0.39) MTTP
SCHEMBL5064982 0.82 MTTP (0.39) MTTP
SCHEMBL5069242 0.81 MTTP (0.41) MTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 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 (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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP TRPV1 2863/4885F10 2762/4885KDM4E 3279/4885

“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.