SCHEMBL6091322

SCHEMBL6091322

CCC(C)OC(=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)O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.38
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
PPARA Q07869 4/20 0.34
PPARG P37231 2/20 0.34
PRSS12 P56730 3/20 0.33
MTTP P55157 3/20 0.32
PLK3 Q9H4B4 2/20 0.32
HSPH1 Q92598 1/20 0.31
PPARD Q03181 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
SORT1 Q99523 1/20 0.30

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 0.93 PLK1 (0.41) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL402944 0.90 NTRK1 (0.39) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL6091314 0.89 NTRK1 (0.41) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL404113 0.89 NTRK1 (0.41) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL403620 0.86 NTRK1 (0.41) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL401283 0.86 NTRK1 (0.40) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL5318000 0.85 NTRK1 (0.43) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL401065 0.84 NTRK1 (0.39) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL402751 0.84 NTRK1 (0.40) PLK1NTRK1NTRK2PPARAPPARG
SCHEMBL401877 0.84 NTRK1 (0.39) PLK1NTRK1NTRK2PPARAPPARG

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

“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.