SCHEMBL21431440

SCHEMBL21431440

O=C(/C=C(\O)c1ccnnc1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.53
▸ TBXA2R P21731 8/20 0.35
▸ TBXAS1 P24557 6/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PLOD2 O00469 1/20 0.34
▸ PLOD3 O60568 1/20 0.34
▸ PLOD1 Q02809 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ NAPRT Q6XQN6 1/20 0.31
▸ PIK3CD O00329 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL30226472 0.77 HCAR2 (0.77) HCAR2TBXA2RTBXAS1MAPTPLOD2
SCHEMBL21806049 0.76 HCAR2 (0.57) HCAR2PLOD2PLOD3PLOD1CES1
SCHEMBL15113893 0.76 NFE2L2 (0.57) MAPTALDH1A1CES1NFE2L2CA12
SCHEMBL14513576 0.74 TSHR (0.48) ALDH1A1HSD17B10NFE2L2CA12CA1
Trifluoroacetic Acid SCHEMBL6386625 0.74 HCAR2 (0.55) HCAR2TBXA2RTBXAS1MAPTPLOD2
SCHEMBL25142331 0.73 CA1 (0.45) MAPTALDH1A1HSD17B10NFE2L2CA12
SCHEMBL2699146 0.73 PLOD2 (0.46) MAPTPLOD2ALDH1A1CES1NFE2L2
SCHEMBL2699148 0.73 PLOD2 (0.46) MAPTPLOD2ALDH1A1CES1NFE2L2
SCHEMBL25142176 0.71 NR4A1 (0.54) ALDH1A1CES1
SCHEMBL25142179 0.71 MAPT (0.54) MAPTALDH1A1CES1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053957-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 — — US disclosed
WO-2019185875-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-03 — — WO 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-20210053957-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 HCAR2 1087/4885TBXA2R 4182/4885TBXAS1 4395/4885

“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.

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