SCHEMBL19448773

SCHEMBL19448773

CC(C)C(F)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTPN1 P18031 1/20 0.39
KCNN4 O15554 3/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 1/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.36
RIPK1 Q13546 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 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
SCHEMBL1167957 0.80 ALDH1A1 (0.46) ALDH1A1TSHRCYP2D6CYP1A2PTPN1
SCHEMBL12356881 0.79 ALDH1A1 (0.50) ALDH1A1TSHRCYP2D6CYP1A2PTPN1
SCHEMBL17885861 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP2D6CYP1A2PTPN1
SCHEMBL10419000 0.76 TSHR (0.52) ALDH1A1TSHRCYP1A2PTPN1KCNN4
SCHEMBL5872368 0.73 KCNN4 (0.40) ALDH1A1TSHRCYP2D6CYP1A2PTPN1
SCHEMBL22402881 0.72 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6CYP1A2KCNN4
SCHEMBL11044685 0.72 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6CYP1A2KCNN4
SCHEMBL3079554 0.72 CYP2D6 (0.46) ALDH1A1TSHRCYP2D6CYP1A2KCNN4
SCHEMBL5872364 0.72 HTR2A (0.40) ALDH1A1TSHRCYP2D6CYP1A2MAPK1
SCHEMBL24342382 0.72 ALDH1A1 (0.48) ALDH1A1TSHRCYP2D6CYP1A2PTPN1

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 ALDH1A1 1350/4885TSHR 3436/4885CYP2D6 61/4885
US-20170295792-A1 USE OF PICOLINAMIDE COMPOUNDS AS FUNGICIDES PFAS, FKBP2, FKBP14 ALDH1A1 1160/4885TSHR 3280/4885CYP2D6 55/4885
US-20230371516-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 ALDH1A1 1350/4885TSHR 3436/4885CYP2D6 61/4885
US-11751568-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 ALDH1A1 1350/4885TSHR 3436/4885CYP2D6 61/4885

“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.