SCHEMBL13380972

SCHEMBL13380972

CC1COC(c2ccco2)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
APOBEC3A P31941 2/20 0.47
APOBEC3G Q9HC16 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CHRM5 P08912 10/20 0.40
CHRM3 P20309 10/20 0.40
CHRM2 P08172 9/20 0.40
CHRM4 P08173 9/20 0.40
CHRM1 P11229 9/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL13380958 0.81 POLB (0.51) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL14272693 0.81 POLB (0.51) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL10000236 0.80 POLB (0.43) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL13381284 0.79 POLB (0.43) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL13381222 0.79 POLB (0.47) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL509970 0.79 POLB (0.44) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL13381357 0.77 POLB (0.45) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL5334097 0.75 CHRM5 (0.44) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL18963329 0.74 NPC1 (0.42) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5
SCHEMBL13381301 0.74 POLB (0.43) POLBAPOBEC3AAPOBEC3GCTDSP1CHRM5

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 POLB 4566/4885APOBEC3A 2940/4885APOBEC3G 3558/4885

“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.