SCHEMBL19628384

SCHEMBL19628384

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
AOC3 Q16853 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
TAAR1 Q96RJ0 4/20 0.34
SLC6A2 P23975 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL19628374 0.83 TRPA1 (0.47) TRPA1MAOATAAR1SLC6A2HPGD
SCHEMBL17905083 0.78 TRPA1 (0.36) TRPA1MAOAMAOBHPGD
SCHEMBL17760943 0.78 RCE1 (0.41) TRPA1HTT
SCHEMBL28605534 0.77 TRPA1 (0.41) TRPA1MAPK1
SCHEMBL17894775 0.77 TRPA1 (0.41) TRPA1MAPK1
SCHEMBL19628385 0.77 TRPA1 (0.58) TRPA1AOC3MAOAMAOBLOXL2
SCHEMBL19628382 0.77 TRPA1 (0.69) TRPA1AOC3MAOAMAOBLOXL2
SCHEMBL17429780 0.77 TRPA1 (0.50) TRPA1AOC3MAOAMAOBSMN1; SMN2
SCHEMBL19754017 0.77 TRPA1 (0.50) TRPA1AOC3MAOAMAOBSMN1; SMN2
SCHEMBL16280734 0.74 TRPA1 (0.46) TRPA1AOC3MAOAMAOBLOXL2

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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
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 (3 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 676/4885AOC3 1184/4885MAOA 1834/4885
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 TRPA1 185/4885AOC3 1594/4885MAOA 797/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 TRPA1 246/4885AOC3 1324/4885MAOA 838/4885

“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.