SCHEMBL6091314

SCHEMBL6091314

CCOC(=O)c1ccc(OC(=O)CCCc2ccc(NC(=O)c3ccc(C)nc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)c(C(=O)OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
PLK1 P53350 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NFKB1 P19838 2/20 0.33
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAOB P27338 1/20 0.33
CETP P11597 1/20 0.33
MTTP P55157 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 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
SCHEMBL404114 0.96 PLK1 (0.41) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL404113 0.93 NTRK1 (0.41) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL402266 0.91 NTRK1 (0.43) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL402944 0.91 NTRK1 (0.39) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL10205609 0.90 NTRK1 (0.42) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL403620 0.90 NTRK1 (0.41) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL402008 0.89 NTRK1 (0.41) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL6091322 0.89 PLK1 (0.38) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL402751 0.89 NTRK1 (0.40) NTRK1NTRK2PLK1PPARGPPARA
SCHEMBL401877 0.88 NTRK1 (0.39) NTRK1NTRK2PLK1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 US claimed

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 NTRK1 3420/4885NTRK2 2775/4885PLK1 4544/4885

“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.