SCHEMBL17429779

SCHEMBL17429779

CC(C)[C@H](Cc1ccccc1)C(O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.55
TAAR1 Q96RJ0 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL17429775 1.00 TRPA1 (0.55) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL15576823 0.88 TRPA1 (0.67) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL10112083 0.86 TRPA1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL12153269 0.86 TRPA1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL12727375 0.86 TRPA1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL26085425 0.85 TRPA1 (0.61) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL26085426 0.85 TRPA1 (0.61) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL873142 0.85 TRPA1 (0.61) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL3245861 0.84 SIGMAR1 (0.58) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4
SCHEMBL105769 0.81 TRPA1 (0.57) TRPA1TAAR1SIGMAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-09-28 US disclosed
US-9686984-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-06-27 US disclosed
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2016-01-14 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 (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-20170273303-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 TRPA1 676/4885TAAR1 3746/4885SIGMAR1 1586/4885
US-20160007602-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES CYP4F12, CYP1A2, FKBP2 TRPA1 676/4885TAAR1 3746/4885SIGMAR1 1586/4885

“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.