SCHEMBL27175136

SCHEMBL27175136

O=C(O)c1cnn(Cc2ccc(OCC3(C(F)(F)F)OCCO3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ PLA2G4A P47712 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ S1PR1 P21453 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ KLKB1 P03952 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 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
SCHEMBL21910782 0.88 CYP4F2 (0.38) HSD17B10PLA2G4AL3MBTL1ALKBH1
SCHEMBL23804452 0.88 GRM2 (0.42) FFAR4PLA2G1BCYP1A2CYP3A4CYP2D6
SCHEMBL28591324 0.86 KLKB1 (0.36) HSD17B10PLA2G4AFFAR4GRIN1GRIN2B
SCHEMBL28600199 0.86 KLKB1 (0.39) HSD17B10PLA2G4AFFAR4PLA2G1BCYP1A2
SCHEMBL28597555 0.85 KDM4E (0.37) FFAR4GRIN1GRIN2BPLA2G1BCYP1A2
SCHEMBL28599703 0.85 FFAR4 (0.37) FFAR4S1PR1GRIN1GRIN2BPLA2G1B
SCHEMBL25360746 0.84 MAPT (0.33) HSD17B10FFAR4PLA2G1BCYP1A2CYP3A4
SCHEMBL29088731 0.84 GRM2 (0.41) PLA2G1BCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL28591329 0.83 KLKB1 (0.36) FFAR4GRIN1GRIN2BPLA2G1BCYP1A2
SCHEMBL23815037 0.81 L3MBTL1 (0.35) HSD17B10L3MBTL1ALKBH1

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-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION 2024-03-21 — — US disclosed
CN-115605461-A Fungicidal mixtures containing pyrazole derivatives FMC公司(US) 2023-01-13 — — CN disclosed
CN-115551353-A Substituted tolyl fungicides and mixtures thereof FMC公司 2022-12-30 — — CN 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-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES NOX1, TH, NOX3 HSD17B10 1351/4885PLA2G4A 4146/4885FFAR4 2519/4885

“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.

Send feedback