SCHEMBL19342159

SCHEMBL19342159

CO/C=C(\C(=O)OC)c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
RXFP1 Q9HBX9 3/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL676794 1.00 HIF1A (0.46) HIF1AKMT2AMEN1TP53PPARG
SCHEMBL23972131 1.00 HIF1A (0.46) HIF1AKMT2AMEN1TP53PPARG
SCHEMBL10014844 1.00 HIF1A (0.46) HIF1AKMT2AMEN1TP53PPARG
SCHEMBL6032705 1.00 HIF1A (0.46) HIF1AKMT2AMEN1TP53PPARG
SCHEMBL8230371 0.88 NPSR1 (0.41) HIF1AKMT2AMEN1PPARGPPARA
SCHEMBL23969503 0.87 KMT2A (0.42) HIF1AKMT2AMEN1PPARGPPARA
SCHEMBL25552199 0.86 HIF1A (0.48) HIF1APPARGPPARA
Picoxystrobin SCHEMBL7203031 0.86 HIF1A (0.51) HIF1AKMT2AMEN1PPARGPPARA
SCHEMBL9892568 0.85 HIF1A (0.48) HIF1AKMT2AMEN1TP53PPARG
SCHEMBL12635931 0.85 HIF1A (0.64) HIF1AKMT2AMEN1TP53PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10412966-B2 Active substance combinations that have nematicidal, insecticidal, and fungicidal properties and are based on trifluorobutenyl compounds ADAMA MAKHTESHIM LTD. (IL) 2019-09-17 US disclosed
US-20170258088-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS ADAMA MAKHTESHIM LTD. (IL) 2017-09-14 US disclosed
US-20170258088-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS ADAMA MAKHTESHIM LTD. (IL) 2017-09-14 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 (2 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-10412966-B2 Active substance combinations that have nematicidal, insecticidal, and fungicidal properties and are based on trifluorobutenyl compounds DDT, ACHE, AADAC HIF1A 4881/4885KMT2A 2967/4885MEN1 3318/4885
US-20170258088-A1 ACTIVE SUBSTANCE COMBINATIONS THAT HAVE NEMATICIDAL, INSECTICIDAL, AND FUNGICIDAL PROPERTIES AND ARE BASED ON TRIFLUOROBUTENYL COMPOUNDS DDT, ACHE, AADAC HIF1A 4881/4885KMT2A 2967/4885MEN1 3318/4885

“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.