SCHEMBL19448772

SCHEMBL19448772

CC(C)C(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.56
CYP17A1 P05093 4/20 0.56
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43
CYP19A1 P11511 2/20 0.41
KCNN4 O15554 3/20 0.40
HSD11B1 P28845 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL19765292 0.86 CYP3A4 (0.47) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL21914753 0.86 CYP3A4 (0.47) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL21914829 0.86 CYP3A4 (0.47) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL13539404 0.80 CYP3A4 (0.44) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL23003766 0.80 CYP3A4 (0.44) CYP3A4CYP17A1RAB9AUSP2KCNN4
SCHEMBL26430216 0.79 ACHE (0.52) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL7430311 0.79 CYP3A4 (0.43) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL26430157 0.79 ACHE (0.52) CYP3A4CYP17A1RAB9AUSP2CYP19A1
SCHEMBL19448778 0.76 CYP3A4 (0.39) CYP3A4CYP17A1CYP19A1CYP2D6CYP2C19
SCHEMBL6470482 0.75 CYP2C19 (0.55) CYP3A4CYP17A1KCNN4CYP2D6CYP2C9

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-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2023-11-23 US disclosed
US-11751568-B2 Picolinamide compounds with fungicidal activity CORTEVA AGRISCIENCE LLC (US) 2023-09-12 US disclosed
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2017-10-19 US disclosed
US-20170290333-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2017-10-12 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 (4 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-20170290333-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 CYP3A4 101/4885CYP17A1 196/4885RAB9A 3281/4885
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES PFAS, FKBP2, FKBP14 CYP3A4 140/4885CYP17A1 217/4885RAB9A 3315/4885
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 CYP3A4 101/4885CYP17A1 196/4885RAB9A 3281/4885
US-11751568-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CYP3A4 101/4885CYP17A1 196/4885RAB9A 3281/4885

“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.