SCHEMBL19448779

SCHEMBL19448779

CC(C)C(=O)O[C@@H](C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ELANE P08246 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APAF1 O14727 1/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL17902366 0.89 KMT2A (0.43) KMT2AHCAR2KLK7ALDH1A1CYP3A4
SCHEMBL17901984 0.89 KMT2A (0.43) KMT2AHCAR2KLK7ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL19460525 0.87 ALDH1A1 (0.43) KMT2AHCAR2KLK7ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL19460524 0.87 ALDH1A1 (0.43) KMT2AHCAR2KLK7ALDH1A1CYP3A4
SCHEMBL9315151 0.84 HCAR2 (0.44) KMT2AHCAR2KLK7ALDH1A1CYP3A4
SCHEMBL19451452 0.82 KMT2A (0.44) KMT2AHCAR2KLK7ALDH1A1HSD17B10
SCHEMBL17902593 0.82 LMNA (0.45) KMT2AALDH1A1L3MBTL1MEN1HPGD
SCHEMBL17902599 0.82 LMNA (0.45) KMT2AALDH1A1L3MBTL1MEN1HPGD
SCHEMBL19765294 0.81 HTT (0.41) KMT2AKLK7ALDH1A1CYP3A4CYP2D6
SCHEMBL28765918 0.81 CYP1A2 (0.46) KMT2AHCAR2ALDH1A1CYP3A4HSD17B10

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 KMT2A 3102/4885ELANE 2151/4885HCAR2 1368/4885
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES PFAS, FKBP2, FKBP14 KMT2A 3515/4885ELANE 2820/4885HCAR2 848/4885
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 KMT2A 3102/4885ELANE 2151/4885HCAR2 1368/4885
US-11751568-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 KMT2A 3102/4885ELANE 2151/4885HCAR2 1368/4885

“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.