SCHEMBL19628385

SCHEMBL19628385

CC(C)[C@H](O)[C@H](O)Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.58
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.39
AOC3 Q16853 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CPA1 P15085 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35

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
SCHEMBL23347539 0.88 TRPA1 (0.62) TRPA1MAOAMAOBHPGDAOC3
SCHEMBL19628382 0.84 TRPA1 (0.69) TRPA1MAOAMAOBHPGDAOC3
SCHEMBL28702008 0.83 TRPA1 (0.57) TRPA1MAOAMAOBHPGDHTT
SCHEMBL109936 0.82 TAAR1 (0.55) MAPK1TAAR1
SCHEMBL20008956 0.79 TRPA1 (0.57) TRPA1MAOATAAR1
SCHEMBL105769 0.79 TRPA1 (0.57) TRPA1MAOATAAR1
SCHEMBL2172447 0.79 TRPA1 (0.61) TRPA1MAOAMAOBHPGDHTT
SCHEMBL23347630 0.79 TRPA1 (0.61) TRPA1MAOAMAOBHPGDHTT
SCHEMBL14520625 0.79 TRPA1 (0.61) TRPA1MAOAMAOBHPGDHTT
SCHEMBL19628384 0.77 TRPA1 (0.50) TRPA1MAOAMAOBHPGDAOC3

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 TRPA1 676/4885MAOA 1834/4885MAOB 2013/4885

“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.