SCHEMBL25101322

SCHEMBL25101322

CC(C)(C)c1c(C(F)(F)F)nn(-c2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 4/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL23400730 0.89 ATM (0.46) ALDH1A1GRNSORT1ATMGAA
SCHEMBL12859488 0.81 BRAF (0.47) CYP11B2ALDH1A1GRNSORT1ATM
SCHEMBL17291092 0.81 ALDH1A1 (0.43) CYP11B2PTGS2ALDH1A1ATMPOLB
SCHEMBL9267572 0.79 PTGS2 (0.47) CYP11B2PTGS2ALDH1A1POLBMAPT
SCHEMBL23401422 0.79 SMN1; SMN2 (0.46) ALDH1A1GRNSORT1POLBMAPT
SCHEMBL8952086 0.78 NR3C1 (0.43) PTGS2ALDH1A1POLBMAPTGAA
SCHEMBL23400733 0.76 MEN1 (0.48) PTGS2ALDH1A1GRNSORT1MAPT
SCHEMBL23401479 0.76 ATM (0.49) ALDH1A1GRNSORT1ATMPOLB
SCHEMBL23400360 0.75 ALDH1A1 (0.48) ALDH1A1GRNSORT1MAPTGAA
SCHEMBL23399034 0.75 ALDH1A1 (0.41) ALDH1A1GRNSORT1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 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 (1 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-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 CYP11B2 755/4885PTGS2 3004/4885ALDH1A1 1179/4885

“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.