SCHEMBL17898732

SCHEMBL17898732

CCC[C@@H](CC=O)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.39
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 3/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL17892926 0.88 RCE1 (0.39) RCE1HTTMAPT
SCHEMBL17898737 0.83 RCE1 (0.38) RCE1PTGESALOX5MMP9MMP8
SCHEMBL17898989 0.80 RCE1 (0.38) RCE1MMP9MMP8HTTMAPT
SCHEMBL17893032 0.73 CTSK (0.46) ALDH1A1TSHRPPARGPPARA
SCHEMBL21697567 0.71 RCE1 (0.41) RCE1MMP9MMP8SLC1A3SLC1A2
SCHEMBL20756666 0.71 SLC1A3 (0.38) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL11577777 0.68 SLC1A3 (0.45) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL18661849 0.67 RCE1 (0.51) RCE1MMP9MMP8SLC1A3SLC1A2
SCHEMBL29913755 0.67 RCE1 (0.51) RCE1MMP9MMP8SLC1A3SLC1A2
SCHEMBL24241193 0.66 RCE1 (0.39) RCE1MMP9MMP8SLC1A3SLC1A2

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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-01-04 US disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 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 (2 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-20180002320-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, CYP4F2 RCE1 553/4885PTGES 3009/4885ALOX5 2699/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS RCE1 372/4885PTGES 3068/4885ALOX5 2373/4885

“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.