SCHEMBL401877

SCHEMBL401877

CCOC(=O)c1cc(OC)c(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 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
PLK1 P53350 2/20 0.38
PPARA Q07869 4/20 0.37
PPARG P37231 1/20 0.37
MTTP P55157 4/20 0.34
TP53 P04637 1/20 0.32
SORT1 Q99523 4/20 0.32
PLK3 Q9H4B4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
STING1 Q86WV6 1/20 0.32
PPARD Q03181 1/20 0.32
PRSS12 P56730 1/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 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
SCHEMBL403878 0.96 NTRK1 (0.39) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL402008 0.96 NTRK1 (0.41) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL400667 0.95 NTRK1 (0.38) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL403797 0.94 NTRK1 (0.40) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL401892 0.94 NTRK1 (0.39) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL403076 0.93 NTRK1 (0.39) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL402751 0.93 NTRK1 (0.40) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL401854 0.93 NTRK1 (0.40) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL401876 0.93 NTRK1 (0.39) NTRK1NTRK2PLK1PPARAPPARG
SCHEMBL401785 0.92 NTRK1 (0.38) NTRK1NTRK2PLK1PPARAPPARG

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 4 patents. 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
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 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.