SCHEMBL20593408

SCHEMBL20593408

CCOc1ccc([C]2CC2(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.54
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LTA4H P09960 2/20 0.42
▸ KDM4E B2RXH2 7/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TP53 P04637 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HSD17B10 Q99714 4/20 0.40
▸ XDH P47989 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL5319002 0.84 NQO1 (0.48) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL4335863 0.81 NQO1 (0.54) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL9155582 0.76 NQO1 (0.82) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL18417193 0.76 NQO1 (0.82) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL5833291 0.76 NQO1 (0.82) NQO1TSHRTDP1LTA4HKDM4E
1,4-Diethoxybenzene SCHEMBL124015 0.73 NQO1 (1.00) NQO1TSHRTDP1LTA4HKDM4E
1,4-Diethoxybenzene SCHEMBL28186701 0.73 NQO1 (1.00) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL9586178 0.71 NQO1 (0.64) NQO1TSHRTDP1LTA4HKDM4E
1,4-Diethoxybenzene SCHEMBL11794798 0.71 NQO1 (0.93) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL13048467 0.70 NQO1 (0.70) NQO1TSHRTDP1LTA4HKDM4E

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-20180368410-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-12-27 — — 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-20180368410-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 NQO1 345/4885TSHR 2934/4885TDP1 1245/4885

“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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