SCHEMBL19633464

SCHEMBL19633464

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.50
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.41
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 2/20 0.37

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
SCHEMBL21440871 0.86 RCE1 (0.48) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL21440862 0.85 RCE1 (0.58) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL22297298 0.85 RCE1 (0.58) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL17760962 0.84 RCE1 (0.46) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL22882738 0.83 RCE1 (0.46) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL20370148 0.82 RCE1 (0.51) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL13773424 0.82 RCE1 (0.51) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL17898990 0.82 RCE1 (0.44) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL21440860 0.81 RCE1 (0.43) RCE1HTTALDH1A1MMP9MMP8
SCHEMBL10618556 0.79 RCE1 (0.46) RCE1HTTALDH1A1MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US 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-20170334934-A1 Macrocyclic picolinamides as fungicides CYP4F12, CYP1A2, FKBP2 RCE1 627/4885HTT 3673/4885ALDH1A1 1286/4885

“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.