SCHEMBL17898737

SCHEMBL17898737

CCC[C@@H](CCO)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.38
HTT P42858 3/20 0.33
MAPT P10636 1/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
CTSK P43235 1/20 0.31
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30
MEN1 O00255 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 0.83 RCE1 (0.39) RCE1HTTMAPT
SCHEMBL17898732 0.83 RCE1 (0.39) RCE1HTTMAPTMMP9MMP8
SCHEMBL17898989 0.79 RCE1 (0.38) RCE1HTTMAPTMMP9MMP8
SCHEMBL19066896 0.77 RCE1 (0.36) RCE1HTTMAPTMMP9MMP8
SCHEMBL17893032 0.77 CTSK (0.46) ALDH1A1TSHRPPARGPPARACTSK
SCHEMBL21697567 0.72 RCE1 (0.41) RCE1HTTMAPTMMP9MMP8
SCHEMBL17898733 0.71 RCE1 (0.40) RCE1HTTMAPTMMP9MMP8
SCHEMBL19088657 0.71 RCE1 (0.46) RCE1HTTMAPTMMP9MMP8
SCHEMBL27064274 0.70 CETP (0.40) MAPTPOLBALDH1A1TSHRPPARG
SCHEMBL19391310 0.70 RCE1 (0.44) RCE1HTTMAPTMMP9MMP8

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 553/4885HTT 3680/4885MAPT 2077/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS RCE1 372/4885HTT 3467/4885MAPT 1611/4885

“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.