SCHEMBL5065188

SCHEMBL5065188

CCOC(=O)C(COC(=O)Cc1ccc(N(C)C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(OC(C)=O)c1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
TACR1 P25103 4/20 0.39
KLRK1 P26718 2/20 0.35
MICA Q29983 2/20 0.35
RAET1L Q5VY80 2/20 0.35
MTTP P55157 5/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
DHFR P00374 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL14031486 0.94 BACE1 (0.40) BACE1TACR1MTTPPPARGPPARA
SCHEMBL14031485 0.86 BACE1 (0.40) BACE1TACR1PPARGPPARADHFR
SCHEMBL3723612 0.85 TACR1 (0.41) TACR1MTTPPPARGPPARADHFR
SCHEMBL5062084 0.84 MTTP (0.46) BACE1MTTP
SCHEMBL3730638 0.83 TACR1 (0.38) BACE1TACR1KLRK1MICARAET1L
SCHEMBL3723740 0.82 PTGDR2 (0.39) BACE1MTTPPPARGPPARAPSEN1
SCHEMBL3734325 0.80 DHFR (0.42) TACR1MTTPPPARGPPARADHFR
SCHEMBL3725080 0.80 MTTP (0.46) KLRK1MICARAET1LMTTP
SCHEMBL3725953 0.79 PDCD1 (0.40) BACE1MTTPPPARGPPARADHFR
SCHEMBL3726515 0.79 DHFR (0.39) TACR1MTTPPPARGPPARADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP claimed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
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 BACE1 2672/4885TACR1 3486/4885KLRK1 3940/4885

“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.