SCHEMBL1429354

SCHEMBL1429354

CC(C)(C)OC(=O)N1CCCC1COc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ ALOX5AP P20292 3/20 0.49
▸ FEN1 P39748 1/20 0.49
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ OPRK1 P41145 2/20 0.42
▸ APP P05067 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR1D P28221 1/20 0.42

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
SCHEMBL1429352 1.00 ALDH1A1 (0.51) ALDH1A1ALOX5APFEN1TSHRLMNA
SCHEMBL5151600 0.88 UCHL1 (0.47) ALDH1A1ALOX5APFEN1LMNANPSR1
SCHEMBL13574258 0.83 LTA4H (0.44) TSHR
SCHEMBL6536147 0.82 ALOX5AP (0.57) ALDH1A1ALOX5APGPR119
SCHEMBL13316326 0.82 ALOX5AP (0.49) ALDH1A1ALOX5APFEN1LMNANPSR1
SCHEMBL2200111 0.82 ALOX5AP (0.57) ALDH1A1ALOX5APGPR119
SCHEMBL13166434 0.82 ALOX5AP (0.49) ALDH1A1ALOX5APFEN1LMNANPSR1
SCHEMBL6535662 0.82 ALOX5AP (0.57) ALDH1A1ALOX5APGPR119
SCHEMBL13316322 0.82 ALOX5AP (0.49) ALDH1A1ALOX5APFEN1LMNANPSR1
SCHEMBL6535343 0.82 ALOX5AP (0.53) ALDH1A1ALOX5APFEN1OPRK1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300454-B1 Novel Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2015-01-21 — — EP disclosed
US-8623902-B2 Microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2014-01-07 — — US disclosed
US-20110207781-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 — — US disclosed
EP-2300454-A1 Novel Microbiocides Syngenta Participations AG (CH) 2011-03-30 — — EP disclosed
WO-2009153191-A1 Novel Microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 — — WO 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-20110207781-A1 NOVEL MICROBIOCIDES CD14, FPR1, MPO ALDH1A1 433/4885ALOX5AP 607/4885FEN1 1218/4885

“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.

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