SCHEMBL17898990

SCHEMBL17898990

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.44
HTT P42858 3/20 0.39
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MAPT P10636 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CTSK P43235 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 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
SCHEMBL17760962 0.86 RCE1 (0.46) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL19633464 0.82 RCE1 (0.50) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL21440860 0.80 RCE1 (0.43) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL17760943 0.79 RCE1 (0.41) RCE1HTTPPARGPPARATRPA1
SCHEMBL17898989 0.79 RCE1 (0.38) RCE1HTTMMP9MMP8MAPT
SCHEMBL16594235 0.78 RCE1 (0.43) RCE1POLBALDH1A1PPARGPPARA
SCHEMBL22297298 0.77 RCE1 (0.58) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL21440862 0.77 RCE1 (0.58) RCE1HTTMMP9MMP8ALDH1A1
SCHEMBL17905077 0.76 CSNK1E (0.41) ALDH1A1TSHRMAPK1PPARGPPARA
SCHEMBL21440871 0.75 RCE1 (0.48) RCE1HTTMMP9MMP8ALDH1A1

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-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY 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 3680/4885MMP9 4142/4885
US-20180002319-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY AADAC, CYP51A1, PFAS RCE1 372/4885HTT 3467/4885MMP9 2198/4885

“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.